Chemistry Accord 08251114402D 19 21 0 0 0 0 0 0 0 0999 V2000 7.1999 7.4715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8688 7.9537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6122 8.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7877 8.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5311 7.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1992 6.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4836 6.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4832 5.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1978 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9141 5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9110 6.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3021 9.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 10.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1558 10.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3349 10.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 9.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4857 9.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1951 9.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7784 9.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 18 1 0 0 0 0 18 19 2 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 1 6 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 4 12 1 0 0 0 0 M STY 1 1 SUP M SAL 1 2 18 19 M SBL 1 1 1 M SMT 1 CHO M END > L 500 > 300 $$$$ Chemistry Accord 08251114402D 14 15 0 0 0 0 0 0 0 0999 V2000 5.0012 6.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4299 5.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 6.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 6.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1392 6.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8545 6.4955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1361 7.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1443 5.2495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8576 5.6714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5668 6.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2821 6.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9943 6.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 M END > L 501 > 300 $$$$ Chemistry Accord 08251114402D 18 20 0 0 0 0 0 0 0 0999 V2000 5.0012 7.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7147 5.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 7.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4281 7.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 6.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 6.2395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 7.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1385 7.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5660 7.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1458 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2802 7.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9915 7.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9869 8.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2651 8.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5567 8.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2828 6.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 7 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 13 18 1 0 0 0 0 M END > L 502 > 300 $$$$ Chemistry Accord 08251114402D 17 20 0 0 0 0 0 0 0 0999 V2000 5.0041 8.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 7.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4273 8.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 9.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 7.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 7.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4263 6.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7173 6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0048 6.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4233 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1403 7.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1409 6.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9305 7.6783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9305 6.4278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5121 7.0967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 6 1 0 0 0 0 5 3 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 8 2 0 0 0 0 7 14 2 0 0 0 0 13 5 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 M END > L 503 > 100 $$$$ Chemistry Accord 08251114402D 13 14 0 0 0 0 0 0 0 0999 V2000 5.0012 6.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 5.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7117 6.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4257 6.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4305 5.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2165 5.4016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6975 6.0719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2087 6.7363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2109 4.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7054 7.7125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4187 8.1315 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9858 8.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 7 10 1 0 0 0 0 M CHG 2 11 1 12 -1 M STY 1 1 SUP M SAL 1 3 11 12 13 M SBL 1 1 1 M SMT 1 NO2 M END > L 504 > 94 $$$$ Chemistry Accord 08251114402D 12 13 0 0 0 0 0 0 0 0999 V2000 6.4735 6.1646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 6.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8868 7.4377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0603 7.4377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 6.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8553 6.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8509 5.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5612 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 5.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2739 6.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5630 6.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 M END > L 505 > 100 $$$$ Chemistry Accord 08251114402D 12 13 0 0 0 0 0 0 0 0999 V2000 5.0012 7.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 6.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7127 7.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4277 7.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4285 6.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 6.0713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8581 6.4859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8534 7.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1378 7.7225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 5.2475 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5634 7.7338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 M CHG 1 11 -1 M END > L 506 > 100 $$$$ Chemistry Accord 08251114402D 18 20 0 0 0 0 0 0 0 0999 V2000 5.0153 6.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0141 5.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4495 5.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 6.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 6.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1559 6.6599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7228 7.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4391 7.8961 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1540 7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8664 7.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4366 8.7201 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0000 7.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5743 7.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2862 7.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2880 8.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5721 9.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8631 8.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 10 2 0 0 0 0 9 8 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 8 13 1 0 0 0 0 11 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 M CHG 2 9 1 12 -1 M END > L 507 > 300 $$$$ Chemistry Accord 08251114402D 19 20 0 0 0 0 0 0 0 0999 V2000 6.2433 8.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 7.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 7.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0577 7.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4731 7.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 8.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2991 7.8517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7109 7.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5347 7.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1187 7.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8532 6.3758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6778 6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2914 6.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4649 6.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0456 5.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4517 5.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2814 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6971 5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 A 13 C2H5 M END > L 508 > 300 $$$$ Chemistry Accord 08251114402D 16 17 0 0 0 0 0 0 0 0999 V2000 5.2053 6.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9595 6.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 5.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5084 5.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7137 6.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 7.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 8.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1974 8.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6347 7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4679 6.7216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2497 6.7216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9249 6.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6001 6.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9266 5.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4777 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 6 1 0 0 0 0 6 5 1 0 0 0 0 2 7 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 2 10 1 0 0 0 0 6 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 A 16 C2H5 M END > L 509 > 200 $$$$ Chemistry Accord 08251114402D 16 17 0 0 0 0 0 0 0 0999 V2000 5.0012 9.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 7.9557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4313 8.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4284 9.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 9.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1401 7.9584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9235 7.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1234 6.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5068 6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2903 5.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8729 5.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6707 5.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8828 6.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2987 6.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3819 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 M END > L 510 > 250 $$$$ Chemistry Accord 08251114402D 18 20 0 0 0 0 0 0 0 0999 V2000 5.3238 7.1427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 7.1427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4085 7.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 8.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0706 7.9289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 8.1496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7291 9.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5563 6.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4436 9.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4357 10.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 10.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 10.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0115 9.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1373 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5419 5.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3641 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7800 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 6.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 2 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 8 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 8 1 0 0 0 0 M END > L 511 > 200 $$$$ Chemistry Accord 08251114402D 13 14 0 0 0 0 0 0 0 0999 V2000 5.0012 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 4.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4256 4.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7102 6.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4262 5.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0364 6.2108 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6975 6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8779 6.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2889 7.4593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9075 7.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7048 7.9798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3196 8.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 9 10 1 0 0 0 0 M STY 1 1 SUP M SAL 1 3 11 12 13 M SBL 1 1 1 M SMT 1 CONH2 M END > L 512 > 100 $$$$ Chemistry Accord 08251114402D 12 13 0 0 0 0 0 0 0 0999 V2000 8.0182 6.2729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3459 5.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6022 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4300 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6863 5.7870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5652 6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3957 6.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6135 7.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 5.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 5.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0099 7.0965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 2 6 1 0 0 0 0 1 12 1 0 0 0 0 M END > L 513 > 200 $$$$ Chemistry Accord 08251114402D 16 18 0 0 0 0 0 0 0 0999 V2000 5.0000 6.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7122 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7122 6.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4243 6.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 5.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2161 5.1564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6981 5.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2087 6.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4593 7.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 5.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9358 5.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7602 5.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1697 5.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7487 6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9256 6.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 M END > L 514 > 100 $$$$ Chemistry Accord 08251114402D 18 20 0 0 0 0 0 0 0 0999 V2000 7.0935 7.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0893 6.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8730 6.5226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3616 7.1880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8797 7.8581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1241 5.7363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4191 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4282 8.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5227 8.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 9.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 9.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0133 8.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6787 7.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6698 6.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0818 5.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8391 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5057 5.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 7 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 7 1 0 0 0 0 M END > L 515 > 200 $$$$ Chemistry Accord 08251114402D 18 20 0 0 0 0 0 0 0 0999 V2000 8.2604 5.4002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2628 6.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8883 6.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8859 5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5760 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3269 6.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 5.0092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8275 6.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5383 7.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9777 8.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 7.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5621 6.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5930 6.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1574 7.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9538 7.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1806 8.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6195 7.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 2 8 1 0 0 0 0 6 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 6 1 0 0 0 0 8 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 8 1 0 0 0 0 M END > L 516 > 300 $$$$ Chemistry Accord 08251114402D 12 13 0 0 0 0 0 0 0 0999 V2000 6.4130 6.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4119 6.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1255 5.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1237 7.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8380 6.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8383 6.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6231 5.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1080 6.4885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6227 7.1559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6151 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8237 7.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 7 10 1 0 0 0 0 1 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > L 517 > 300 $$$$ Chemistry Accord 08251114402D 18 20 0 0 0 0 0 0 0 0999 V2000 8.0179 5.8365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6870 6.3188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4303 7.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6055 7.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3487 6.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1209 7.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5646 6.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0179 5.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4571 8.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9733 9.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 9.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8169 8.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3028 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9544 6.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1709 6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6187 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3998 5.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 6 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 6 1 0 0 0 0 7 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 7 1 0 0 0 0 M END > L 518 > 250 $$$$ Chemistry Accord 08251114402D 17 19 0 0 0 0 0 0 0 0999 V2000 8.0179 5.8365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6871 6.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4303 7.1070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6055 7.1070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3487 6.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5647 6.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4712 6.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9544 6.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1709 6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6187 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3998 5.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6390 5.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4223 5.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0370 5.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8632 6.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0802 6.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 6 1 0 0 0 0 7 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 7 1 0 0 0 0 M END > L 519 > 100 $$$$ Chemistry Accord 08251114402D 16 18 0 0 0 0 0 0 0 0999 V2000 5.0012 6.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7112 6.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4249 6.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2136 5.1558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7008 5.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2132 6.4971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5237 5.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9316 5.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7538 5.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1658 5.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7497 6.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9289 6.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9888 5.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4116 5.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 16 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 5 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 12 15 1 0 0 0 0 6 16 1 0 0 0 0 M END > L 520 > 300 $$$$ Chemistry Accord 08251114402D 12 13 0 0 0 0 0 0 0 0999 V2000 8.4527 6.8597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8534 6.2974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 6.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2904 7.5025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1069 7.6013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 6.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2768 6.8676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4534 5.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7489 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 5.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7052 6.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 1 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 6 1 0 0 0 0 M END > L 521 > 300 $$$$ Chemistry Accord 08251114402D 21 24 0 0 0 0 0 0 0 0999 V2000 5.0000 6.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 6.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4258 6.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 5.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2139 5.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6938 5.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2066 6.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5198 5.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4576 7.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2646 7.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5156 8.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9593 8.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 8.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9014 7.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9343 5.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7595 5.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1694 5.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7480 6.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9241 6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 10 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 10 1 0 0 0 0 M END > L 522 > 480 $$$$ Chemistry Accord 08251114402D 16 18 0 0 0 0 0 0 0 0999 V2000 5.0000 6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 6.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4240 6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4239 5.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2095 5.1520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6951 5.8202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2095 6.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 7.3165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9165 7.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6331 7.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3451 7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3409 8.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6189 8.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9098 8.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 M END > L 523 > 300 $$$$ Chemistry Accord 08251114402D 23 25 0 0 0 0 0 0 0 0999 V2000 8.0636 5.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7311 5.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 6.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6523 6.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 5.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5117 5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6805 4.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 4.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0748 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9015 5.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1205 5.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 5.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0567 6.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8544 6.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8396 7.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0665 6.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2811 7.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2663 6.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 5.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2175 5.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5873 4.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3837 4.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 4 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 2 6 1 0 0 0 0 5 12 1 0 0 0 0 12 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 12 1 0 0 0 0 M STY 2 1 SUP 2 SUP M SAL 1 3 13 14 15 M SBL 1 1 1 M SMT 1 CO2H M SAL 2 3 16 17 18 M SBL 2 1 4 M SMT 2 CO2H M END > L 524 > 300 $$$$ Chemistry Accord 08251114402D 27 29 0 0 0 0 0 0 0 0999 V2000 8.0127 3.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6807 4.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4244 4.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6010 4.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3447 4.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4621 3.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6310 3.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4129 2.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0266 3.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8531 4.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0714 4.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5654 3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9527 4.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1706 4.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3974 3.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0146 5.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2294 6.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2137 5.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6430 6.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8577 7.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 5.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8050 5.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7894 6.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3872 5.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1862 5.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 2 6 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 5 12 1 0 0 0 0 M STY 2 1 SUP 2 SUP M SAL 1 5 18 19 20 21 22 M SBL 1 1 1 M SMT 1 CO2Et M SAL 2 5 23 24 25 26 27 M SBL 2 1 6 M SMT 2 CO2Et M END > L 525 > 300 $$$$ Chemistry Accord 08251114402D 18 20 0 0 0 0 0 0 0 0999 V2000 8.0172 5.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6863 6.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4296 7.1065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6049 7.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3482 6.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5678 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 6.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1709 6.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6186 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3995 5.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4688 6.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6380 5.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4211 5.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0357 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8619 6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0791 6.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3883 7.9062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 2 12 1 0 0 0 0 4 18 1 0 0 0 0 M END > L 527 > 300 $$$$ Chemistry Accord 08251114402D 16 18 0 0 0 0 0 0 0 0999 V2000 5.0000 7.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7224 6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4448 6.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4448 7.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7224 7.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 6.0026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5957 7.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5957 6.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2766 6.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9618 6.5733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9618 7.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2766 7.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 5.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5941 5.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9558 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 4 7 1 0 0 0 0 9 7 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 M END > L 528 > 100 $$$$ Chemistry Accord 08251114402D 15 15 0 0 0 0 0 0 0 0999 V2000 5.0012 7.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 6.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4312 7.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4283 7.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 8.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1400 6.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1358 5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4193 5.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8481 5.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1316 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8524 7.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4357 6.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2607 6.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6482 5.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M END > L 529 > 200 $$$$ Chemistry Accord 08251114402D 21 23 0 0 0 0 0 0 0 0999 V2000 5.0012 7.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 5.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4305 6.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4276 7.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 7.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1402 7.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8558 7.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 8.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 5.9876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2332 5.1702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0401 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4512 5.7148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8985 6.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6090 6.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3273 6.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0373 6.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0296 7.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3058 7.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5987 7.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7412 7.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 M END > L 530 > 300 $$$$ Chemistry Accord 08251114402D 20 22 0 0 0 0 0 0 0 0999 V2000 6.4515 5.8347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1198 6.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8634 7.1036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0396 7.1036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7831 6.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4459 7.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2456 7.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8278 8.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6111 8.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8070 9.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2282 8.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9016 6.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0706 5.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8529 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4668 5.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2933 6.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5112 6.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 6.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8305 5.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 4 5 2 0 0 0 0 2 3 1 0 0 0 0 1 2 2 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 2 12 1 0 0 0 0 M STY 1 1 SUP M SAL 1 3 18 19 20 M SBL 1 1 1 M SMT 1 CO2H M END > L 531 > 140 $$$$ Chemistry Accord 08251114402D 18 19 0 0 0 0 0 0 0 0999 V2000 8.1366 6.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1312 7.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 7.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8243 6.9523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4870 6.5730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6649 8.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2774 8.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4007 8.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4629 8.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9380 8.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5445 8.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4690 8.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7899 6.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7861 5.8231 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4805 5.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7796 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6100 5.8676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 8 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 1 0 0 0 0 5 16 1 0 0 0 0 16 15 1 0 0 0 0 15 17 2 0 0 0 0 15 18 2 0 0 0 0 M END > L 532 > 350 $$$$ Chemistry Accord 08251114402D 23 26 0 0 0 0 0 0 0 0999 V2000 5.0012 7.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 9.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 7.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4309 7.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4317 8.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1483 9.1286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8646 8.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8598 7.8816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1426 7.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1383 6.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5756 9.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8529 6.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8489 5.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1304 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4145 5.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4221 6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5728 9.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2830 10.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9950 9.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9924 9.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2816 8.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7113 10.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 8 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 12 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 12 1 0 0 0 0 20 23 1 0 0 0 0 M END > L 533 > 100 $$$$ Chemistry Accord 08251114402D 14 16 0 0 0 0 0 0 0 0999 V2000 5.0011 7.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 6.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6842 7.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3707 7.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3714 6.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0579 6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7440 6.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7394 7.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0524 7.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4495 5.6837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5330 6.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7370 6.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0496 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 M END > L 534 > 100 $$$$ Chemistry Accord 08251114402D 13 13 0 0 0 0 0 0 0 0999 V2000 7.1023 5.8201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7709 6.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5144 7.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6901 7.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4336 6.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0981 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 5.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 5.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0972 7.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8941 7.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8810 8.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5545 6.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 2 13 1 0 0 0 0 M END > L 535 > 300 $$$$ Chemistry Accord 08251114402D 17 19 0 0 0 0 0 0 0 0999 V2000 5.0042 8.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 7.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4326 8.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7166 9.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 7.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7176 7.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1503 6.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1483 7.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4316 6.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 6.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0048 6.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7163 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 5.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8581 7.8886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8662 6.2356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6880 6.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 6 1 0 0 0 0 5 3 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 2 0 0 0 0 6 10 1 0 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 8 15 2 0 0 0 0 7 16 2 0 0 0 0 16 17 1 0 0 0 0 M END > L 536 > 100 $$$$ Chemistry Accord 08251114402D 19 20 0 0 0 0 0 0 0 0999 V2000 5.0012 8.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 7.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 7.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4277 8.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7127 9.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1453 7.3857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 7.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6800 7.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1838 6.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1403 9.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 9.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9345 8.8315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7591 8.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6006 6.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8160 5.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6139 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1963 5.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9778 6.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 10 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 10 1 0 0 0 0 M END > L 537 > 150 $$$$ Chemistry Accord 08251114402D 16 18 0 0 0 0 0 0 0 0999 V2000 5.0000 6.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 5.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 7.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4262 6.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4307 6.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2145 5.7844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6945 6.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2072 7.1155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5207 6.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4741 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9353 5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7608 5.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1707 6.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7492 7.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9251 7.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 8 10 1 0 0 0 0 7 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 M END > L 538 > 100 $$$$ Chemistry Accord 08251114402D 14 15 0 0 0 0 0 0 0 0999 V2000 8.0172 5.8363 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6863 6.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4296 7.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6049 7.1065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3482 6.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9140 7.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4702 6.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0838 6.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5643 6.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 6.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1709 6.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6186 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3995 5.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 M END > L 539 > 100 $$$$ Chemistry Accord 08251114402D 15 16 0 0 0 0 0 0 0 0999 V2000 5.0012 8.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 7.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 9.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 8.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 7.8378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7068 8.5103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2163 9.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6233 9.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6317 7.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2198 6.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4510 7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6273 5.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2154 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 9 10 1 0 0 0 0 M STY 1 1 SUP M SAL 1 5 11 12 13 14 15 M SBL 1 1 1 M SMT 1 CO2Et M END > L 540 > 100 $$$$ Chemistry Accord 08251114402D 24 26 0 0 0 0 0 0 0 0999 V2000 5.0012 7.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 6.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4309 6.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 7.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7128 7.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7104 8.7017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1407 7.8829 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4234 9.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1369 8.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8478 9.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8496 9.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1343 10.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4171 9.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7146 11.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5394 11.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5600 8.7055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8518 7.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8477 6.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1290 6.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1245 5.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8372 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5560 5.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5569 6.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 11 17 2 0 0 0 0 8 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 M END > L 541 > 350 $$$$ Chemistry Accord 08251114402D 16 17 0 0 0 0 0 0 0 0999 V2000 5.7248 7.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7237 6.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4439 5.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1657 6.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1628 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4421 7.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8313 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2839 6.2534 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9924 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8799 7.4979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2913 8.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6818 7.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 8.3711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3996 7.7036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4853 8.4383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 6.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 M CHG 2 7 1 8 -1 M STY 1 1 SUP M SAL 1 3 7 8 9 M SBL 1 1 1 M SMT 1 NO2 M END > L 542 > 250 $$$$ Chemistry Accord 08251114402D 20 22 0 0 0 0 0 0 0 0999 V2000 5.7203 9.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 9.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1493 9.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4330 10.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1522 9.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4361 8.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7696 8.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6148 7.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1313 7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4671 6.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2911 6.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7709 7.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5628 8.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2889 9.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 7.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6992 5.7082 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2887 5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5178 5.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 1 2 2 0 0 0 0 2 6 1 0 0 0 0 5 3 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 8 7 1 0 0 0 0 7 5 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 7 14 2 0 0 0 0 M CHG 2 18 1 19 -1 M STY 2 1 SUP 2 SUP M SAL 1 3 15 16 17 M SBL 1 1 1 M SMT 1 COOH M SAL 2 3 18 19 20 M SBL 2 1 4 M SMT 2 NO2 M END > L 543 > 100 $$$$ Chemistry Accord 08251114402D 12 13 0 0 0 0 0 0 0 0999 V2000 5.7136 6.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7124 5.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4244 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 6.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1351 6.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1414 5.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8584 5.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 5.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5675 6.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8459 6.6610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2769 6.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 M END > L 544 > 90 $$$$ Chemistry Accord 08251114402D 9 9 0 0 0 0 0 0 0 0999 V2000 5.0025 6.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0025 5.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4281 5.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4281 6.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 6.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 7.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 7.8908 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 M END > L 545 > 90 $$$$ Chemistry Accord 08251114402D 13 14 0 0 0 0 0 0 0 0999 V2000 5.7136 6.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 5.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4244 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 6.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1352 6.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1414 5.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8584 5.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 5.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5676 6.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8459 6.6611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2770 6.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8386 7.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 M END > L 546 > 90 $$$$ Chemistry Accord 08251114402D 14 14 0 0 0 0 0 0 0 0999 V2000 7.1391 8.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 7.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5651 8.2995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8521 8.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2809 8.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4251 7.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 7.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 6.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 5.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 6.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5615 7.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8537 7.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7251 5.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 3 12 1 0 0 0 0 2 13 2 0 0 0 0 10 14 1 0 0 0 0 M END > L 547 > 50 $$$$ Chemistry Accord 08251114402D 16 16 0 0 0 0 0 0 0 0999 V2000 7.1385 8.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1385 7.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5642 8.7180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8513 9.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2797 9.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 7.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 7.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 6.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 6.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4311 6.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7249 5.4194 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0156 5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.4444 5.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5605 7.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 7.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 3 15 1 0 0 0 0 2 16 2 0 0 0 0 M CHG 2 12 1 13 -1 M STY 1 1 SUP M SAL 1 3 12 13 14 M SBL 1 1 1 M SMT 1 NO2 M END > L 548 > 50 $$$$ Chemistry Accord 08251114402D 13 13 0 0 0 0 0 0 0 0999 V2000 7.1391 7.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 6.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5652 7.4744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8521 7.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 7.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4251 6.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 6.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 5.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5616 6.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8538 6.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 3 12 1 0 0 0 0 2 13 2 0 0 0 0 M END > L 549 > 200 $$$$ Chemistry Accord 08251114402D 17 19 0 0 0 0 0 0 0 0999 V2000 5.0012 6.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7113 6.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2130 5.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6996 5.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 6.4971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 6.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4252 5.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5226 5.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 5.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9350 6.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7587 6.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1709 7.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7581 7.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9286 7.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5201 7.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 8 4 2 0 0 0 0 4 1 1 0 0 0 0 8 9 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 M END > L 553 > 100 $$$$ Chemistry Accord 08251114402D 17 19 0 0 0 0 0 0 0 0999 V2000 5.0012 6.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7113 6.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2130 5.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6996 5.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 6.4971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 6.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4252 5.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5226 5.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 5.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9350 6.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7587 6.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1709 7.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7581 7.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9286 7.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5201 7.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 8 4 2 0 0 0 0 4 1 1 0 0 0 0 8 9 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 M END > L 554 > 50 $$$$ Chemistry Accord 08251114402D 12 13 0 0 0 0 0 0 0 0999 V2000 5.0012 6.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7112 6.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2126 5.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6991 5.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2121 6.4968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 6.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5219 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9336 5.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9342 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 8 4 2 0 0 0 0 4 1 1 0 0 0 0 8 9 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 M END > L 555 > 20 $$$$ Chemistry Accord 08251114402D 11 12 0 0 0 0 0 0 0 0999 V2000 5.0012 6.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7112 6.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2126 5.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6991 5.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2121 6.4968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 6.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5219 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9336 5.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 8 4 2 0 0 0 0 4 1 1 0 0 0 0 8 9 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 10 11 2 0 0 0 0 M END > L 557 > 100 $$$$ Chemistry Accord 08251114402D 12 13 0 0 0 0 0 0 0 0999 V2000 5.0012 6.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7112 6.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2126 5.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6991 5.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2121 6.4968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 6.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5219 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9336 5.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9342 6.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 8 4 2 0 0 0 0 4 1 1 0 0 0 0 8 9 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > L 565 > 15 $$$$ Chemistry Accord 08251114402D 24 25 0 0 0 0 0 0 0 0999 V2000 6.4333 7.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 7.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1463 6.6241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 7.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 7.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1463 8.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1463 5.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4309 5.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8617 5.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 5.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 6.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2642 8.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5685 7.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2814 7.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 7.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5643 6.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0904 8.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4953 9.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 10.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2456 10.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8445 9.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7043 7.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 18 2 0 0 0 0 14 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 14 1 0 0 0 0 17 24 1 0 0 0 0 M END > L 751 > 475 $$$$ Chemistry Accord 08251114402D 22 23 0 0 0 0 0 0 0 0999 V2000 6.4332 7.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 7.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1461 6.6239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 7.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 7.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1461 8.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1461 5.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4307 5.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 5.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 5.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 6.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2639 8.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5682 7.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 7.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 6.6227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0900 8.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4949 9.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0746 10.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2453 10.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8443 9.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 14 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 14 1 0 0 0 0 M END > L 752 > 450 $$$$ Chemistry Accord 08251114402D 21 22 0 0 0 0 0 0 0 0999 V2000 6.4332 7.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 7.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1461 6.6240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 7.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 7.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1461 8.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1461 5.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4308 5.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 5.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 5.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 6.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2640 8.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5683 7.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2811 7.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0901 8.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4949 9.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0747 10.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2454 10.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8443 9.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 14 1 0 0 0 0 M END > L 753 > 450 $$$$ Chemistry Accord 08251114402D 21 22 0 0 0 0 0 0 0 0999 V2000 6.4332 7.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 7.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1461 6.6240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 7.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 7.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1461 8.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1461 5.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4308 5.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 5.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 5.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 6.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2640 8.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5683 7.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2811 7.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0901 8.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4949 9.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0747 10.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2454 10.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8443 9.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 15 16 2 0 0 0 0 14 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 14 1 0 0 0 0 M END > L 754 > 500 $$$$ Chemistry Accord 08251114402D 20 21 0 0 0 0 0 0 0 0999 V2000 6.3853 7.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3853 6.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 6.5697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7635 6.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7635 7.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 5.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 5.3720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7659 5.3720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 5.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 6.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8981 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1549 8.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4490 7.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1381 7.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9535 8.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3448 9.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9386 9.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1370 9.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7493 9.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 13 1 0 0 0 0 1 5 1 0 0 0 0 M END > L 755 > 500 $$$$ Chemistry Accord 08251114402D 20 21 0 0 0 0 0 0 0 0999 V2000 6.3853 7.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3853 6.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 6.5697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7635 6.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7635 7.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 5.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 5.3720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7659 5.3720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 5.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 6.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8981 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1549 8.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4490 7.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1381 7.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9535 8.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3448 9.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9386 9.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1370 9.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7493 9.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 14 15 2 0 0 0 0 13 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 13 1 0 0 0 0 1 5 1 0 0 0 0 M END > L 756 > 500 $$$$ Chemistry Accord 08251114402D 23 25 0 0 0 0 0 0 0 0999 V2000 7.1393 8.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1393 8.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8524 7.7310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 8.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 8.9663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8524 9.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2796 7.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2814 9.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4252 7.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9926 8.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7080 9.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7109 10.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9924 10.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 10.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7136 8.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 6.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4317 6.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5648 10.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7251 5.6665 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0156 5.2469 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.4449 5.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 2 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 8 1 0 0 0 0 9 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 9 1 0 0 0 0 14 20 1 0 0 0 0 M CHG 2 21 1 22 -1 M STY 1 1 SUP M SAL 1 3 21 22 23 M SBL 1 1 1 M SMT 1 NO2 M END > L 757 > Icilin > 400 $$$$ Chemistry Accord 08251114402D 11 12 0 0 0 0 0 0 0 0999 V2000 5.0012 6.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7112 6.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2126 5.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6991 5.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2121 6.4968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 6.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5219 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9336 5.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 8 4 2 0 0 0 0 4 1 1 0 0 0 0 8 9 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > L 758 > 10 $$$$ Chemistry Accord 08251114402D 12 13 0 0 0 0 0 0 0 0999 V2000 5.0012 6.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7112 6.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2126 5.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6991 5.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2121 6.4968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 6.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5219 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9336 5.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9342 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 8 4 2 0 0 0 0 4 1 1 0 0 0 0 8 9 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 M END > L 759 > 20 $$$$ Chemistry Accord 08251114402D 13 13 0 0 0 0 0 0 0 0999 V2000 7.1391 7.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 6.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5652 7.4744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8521 7.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 7.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4251 6.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 6.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 5.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5616 6.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8538 6.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 3 12 1 0 0 0 0 2 13 2 0 0 0 0 M END > L 760 > 50 $$$$ Chemistry Accord 08251114402D 26 29 0 0 0 0 0 0 0 0999 V2000 5.0012 8.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7128 7.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 9.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2122 7.7745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6986 8.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2117 9.1140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4245 8.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 8.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5213 8.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9335 9.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9340 7.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7576 7.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3408 7.1495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4674 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1252 6.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7045 5.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5026 5.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7183 6.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1358 7.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9002 6.3911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 6.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 5.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7619 5.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5647 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1363 5.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 8 4 2 0 0 0 0 4 1 1 0 0 0 0 8 9 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 5 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > L 761 > 200 $$$$ Chemistry Accord 08251114402D 18 18 0 0 0 0 0 0 0 0999 V2000 6.4326 7.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4326 7.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 6.6232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8578 7.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8578 7.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 8.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 5.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 5.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8602 5.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7151 5.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7151 6.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5734 8.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2866 7.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5758 9.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0022 8.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7154 7.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > L 800 > 20 $$$$ Chemistry Accord 08251114402D 25 26 0 0 0 0 0 0 0 0999 V2000 8.0568 8.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8490 7.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4282 7.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4282 7.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1386 6.6182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8490 7.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1386 8.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1386 5.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4257 5.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8514 5.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 5.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 6.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9259 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4675 9.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6842 10.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0957 10.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 10.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 9.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6693 9.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6389 8.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2204 7.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0138 7.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5954 7.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8496 8.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 1 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 21 25 2 0 0 0 0 M END > L 801 > 400 $$$$ Chemistry Accord 08251114402D 22 23 0 0 0 0 0 0 0 0999 V2000 8.0556 8.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8478 7.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4276 7.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4276 7.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1377 6.6176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8478 7.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1377 8.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1377 5.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4251 5.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8502 5.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 5.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 6.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9255 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4665 9.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6831 10.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 10.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2910 10.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0788 9.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6687 9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6374 8.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2187 7.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 1 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > L 804 > 400 $$$$ Chemistry Accord 08251114402D 22 23 0 0 0 0 0 0 0 0999 V2000 8.0556 8.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8478 7.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4276 7.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4276 7.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1377 6.6176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8478 7.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1377 8.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1377 5.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4251 5.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8502 5.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 5.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 6.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9255 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4665 9.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6831 10.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 10.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2910 10.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0788 9.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6687 9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6374 8.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2187 7.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 1 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 2 21 1 0 0 0 0 21 22 2 0 0 0 0 M END > L 805 > 500 $$$$ Chemistry Accord 08251114402D 23 24 0 0 0 0 0 0 0 0999 V2000 8.0560 8.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8482 7.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4278 7.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4278 7.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 6.6178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8482 7.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 8.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 5.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4253 5.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8507 5.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7127 5.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7127 6.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9257 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4668 9.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6835 10.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0951 10.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2912 10.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 9.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6689 9.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6379 8.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2193 7.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8486 8.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 1 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 M END > L 807 > 450 $$$$ Chemistry Accord 08251114402D 23 24 0 0 0 0 0 0 0 0999 V2000 6.3855 7.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3855 6.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0746 6.5699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7638 6.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7638 7.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0746 5.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3831 5.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7662 5.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 5.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 6.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 8.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4494 7.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1385 7.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9539 8.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3452 9.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9390 9.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1373 9.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7496 9.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4420 6.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 6.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9505 6.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 14 15 2 0 0 0 0 13 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 13 1 0 0 0 0 1 5 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > L 901 > 475 $$$$ Chemistry Accord 08251114402D 25 27 0 0 0 0 0 0 0 0999 V2000 7.6426 6.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3110 6.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0545 7.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2307 7.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9743 6.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3861 6.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8908 6.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6741 5.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2532 5.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0478 5.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2602 6.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6796 6.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5879 6.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2094 5.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5966 5.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7467 8.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5385 8.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 9.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2487 8.8325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0725 8.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9561 9.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0282 8.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2044 8.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 6 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 6 1 0 0 0 0 4 18 1 0 0 0 0 3 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 24 25 1 0 0 0 0 A 22 C2H5 A 25 C2H5 M END > L910 > 300 $$$$ Chemistry Accord 08251114402D 22 26 0 0 0 0 0 0 0 0999 V2000 5.0012 7.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 6.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7119 8.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2144 7.9862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4262 7.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4264 6.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7018 7.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2185 6.6424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5581 5.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5248 7.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8654 6.4805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3840 5.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8722 5.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6512 6.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6522 5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3630 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0733 5.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0683 6.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3569 6.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0054 7.9096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0771 5.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 7 2 0 0 0 0 6 4 2 0 0 0 0 4 1 1 0 0 0 0 6 7 1 0 0 0 0 8 5 2 0 0 0 0 5 6 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 12 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 16 1 0 0 0 0 15 12 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 11 21 2 0 0 0 0 10 22 2 0 0 0 0 M END > L911 > 250 $$$$ Chemistry Accord 08251114402D 10 11 0 0 0 0 0 0 0 0999 V2000 5.0012 6.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7128 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 6.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2120 5.1570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 5.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2116 6.4964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4244 6.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4246 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5211 5.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 8 4 2 0 0 0 0 4 1 1 0 0 0 0 8 9 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 A 10 CCl3 M END > L912 > 250 $$$$ Chemistry Accord 08251114402D 15 16 0 0 0 0 0 0 0 0999 V2000 5.0012 6.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7128 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2122 5.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6986 5.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2117 6.4966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4245 6.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5213 5.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9335 6.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7584 6.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5208 7.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1711 5.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9959 5.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 8 4 2 0 0 0 0 4 1 1 0 0 0 0 8 9 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 M END > L913 > 220 $$$$ Chemistry Accord 08251114402D 14 15 0 0 0 0 0 0 0 0999 V2000 5.0012 7.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 6.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7112 7.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2126 6.4711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6991 7.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2121 7.8108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 7.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 6.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5219 7.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9336 6.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9342 7.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5213 5.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9341 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 8 4 2 0 0 0 0 4 1 1 0 0 0 0 8 9 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > L914 > 30 $$$$ Chemistry Accord 08251114402D 20 22 0 0 0 0 0 0 0 0999 V2000 8.0177 5.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6868 6.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4301 7.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6053 7.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3486 6.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3965 5.9072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5645 6.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 7.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9543 6.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1709 6.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6187 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3997 5.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4570 8.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9732 9.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 9.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8169 8.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3027 7.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0133 7.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5964 8.2816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 19 1 0 0 0 0 19 20 3 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 8 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 8 1 0 0 0 0 M STY 1 1 SUP M SAL 1 2 19 20 M SBL 1 1 1 M SMT 1 CN M END > L915 > 48 $$$$ Chemistry Accord 08251114402D 13 14 0 0 0 0 0 0 0 0999 V2000 5.7273 7.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0076 7.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7113 5.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 7.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4308 6.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1403 5.8147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8595 6.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8645 7.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1504 7.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5697 5.8044 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 8.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7036 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 4 13 1 0 0 0 0 M END > L916 > 67 $$$$ Chemistry Accord 08251114402D 16 17 0 0 0 0 0 0 0 0999 V2000 8.0172 5.8363 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6862 6.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4295 7.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6049 7.1065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3482 6.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9139 7.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4701 6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5643 6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 6.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1709 6.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6186 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3995 5.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 5.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0840 6.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8682 6.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 15 16 1 0 0 0 0 A 16 C2H5 M END > L917 > 48 $$$$ Chemistry Accord 08251114402D 13 14 0 0 0 0 0 0 0 0999 V2000 5.0194 6.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0182 5.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7316 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4466 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7298 6.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 6.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1573 6.6596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1525 7.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 7.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7188 7.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8609 7.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1540 5.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 8 12 1 0 0 0 0 4 13 1 0 0 0 0 M END > L918 > 78 $$$$ Chemistry Accord 08251114402D 15 16 0 0 0 0 0 0 0 0999 V2000 5.7137 7.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 6.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4229 7.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1356 7.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1418 6.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 5.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5745 6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5683 7.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8465 7.4864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2779 7.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8256 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2867 6.2343 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9980 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8392 8.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 15 1 0 0 0 0 M CHG 2 12 1 13 -1 M STY 1 1 SUP M SAL 1 3 12 13 14 M SBL 1 1 1 M SMT 1 NO2 M END > L919 > 40 $$$$ Chemistry Accord 08251114402D 14 15 0 0 0 0 0 0 0 0999 V2000 5.7137 7.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 6.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4229 7.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1356 7.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1418 6.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 5.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5745 6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5683 7.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8465 7.4864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2779 7.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8256 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2867 6.2343 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9980 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 M CHG 2 12 1 13 -1 M STY 1 1 SUP M SAL 1 3 12 13 14 M SBL 1 1 1 M SMT 1 NO2 M END > L920 > 40 $$$$ Chemistry Accord 08251114402D 12 13 0 0 0 0 0 0 0 0999 V2000 5.0012 5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7128 4.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 6.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2119 4.5499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6983 5.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2114 5.8892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4243 5.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4245 4.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5209 5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9330 5.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3481 6.6482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10 11 1 0 0 0 0 11 12 3 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 8 4 2 0 0 0 0 4 1 1 0 0 0 0 8 9 1 0 0 0 0 6 7 2 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 M STY 1 1 SUP M SAL 1 2 11 12 M SBL 1 1 1 M SMT 1 CN M END > L921 > 25 $$$$ Chemistry Accord 08251114402D 11 11 0 0 0 0 0 0 0 0999 V2000 5.7165 7.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 6.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 6.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4268 7.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9283 7.7363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1406 7.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1409 6.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 5.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1444 5.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2386 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 7 2 0 0 0 0 6 4 2 0 0 0 0 4 1 1 0 0 0 0 6 7 1 0 0 0 0 5 6 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 2 11 1 0 0 0 0 M END > L922 > 300 $$$$ Chemistry Accord 08251114402D 11 11 0 0 0 0 0 0 0 0999 V2000 5.0020 7.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 6.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 6.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 7.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 7.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4262 7.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4265 6.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7147 5.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 5.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7099 8.7135 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 7 2 0 0 0 0 6 4 2 0 0 0 0 4 1 1 0 0 0 0 6 7 1 0 0 0 0 5 6 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 4 11 1 0 0 0 0 M END > L923 > 300 $$$$ Chemistry Accord 08251114402D 12 12 0 0 0 0 0 0 0 0999 V2000 5.0020 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 7.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 6.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 8.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 8.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4262 7.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4265 7.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7147 5.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 5.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7099 9.0970 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 7 2 0 0 0 0 6 4 2 0 0 0 0 4 1 1 0 0 0 0 6 7 1 0 0 0 0 5 6 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 4 12 1 0 0 0 0 M END > L924 > 300 $$$$ Chemistry Accord 08251114402D 19 20 0 0 0 0 0 0 0 0999 V2000 6.4312 6.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 5.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1446 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8607 5.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8578 6.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1428 6.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 6.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7168 7.4764 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 6.2393 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.0643 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5704 6.6583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 5.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2890 5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0004 5.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7134 5.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7126 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9928 6.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2827 6.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4255 6.6564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 5 11 1 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 M END > L925 > 25 > 90 > 150 $$$$ Chemistry Accord 08251114402D 22 23 0 0 0 0 0 0 0 0999 V2000 6.4312 6.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 5.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1446 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8607 5.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8578 6.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1428 6.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 6.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7168 7.4764 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 6.2393 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.0643 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5704 6.6583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 5.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2890 5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0004 5.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7134 5.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7126 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9928 6.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2827 6.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4255 6.6564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1412 6.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8545 6.6605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1436 5.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 5 11 1 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 M END > L926 > 35 > 105 > 250 $$$$ Chemistry Accord 08251114402D 23 24 0 0 0 0 0 0 0 0999 V2000 6.4312 6.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 5.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1446 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8607 5.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8578 6.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1428 6.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 6.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7168 7.4764 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 6.2393 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.0643 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5704 6.6583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 5.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2890 5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0004 5.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7134 5.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7126 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9928 6.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2827 6.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4255 6.6564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1412 6.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8545 6.6605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1436 5.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 6.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 5 11 1 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 M END > L927 > 35 > 105 > 250 $$$$ Chemistry Accord 08251114402D 13 13 0 0 0 0 0 0 0 0999 V2000 6.4306 6.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4294 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 5.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8565 6.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 6.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 6.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 7.4753 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 6.2387 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.0633 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5687 6.6575 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 5.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2869 5.4152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 5 11 1 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > L928 > 65 > 260 > 390 $$$$ Chemistry Accord 08251114402D 16 16 0 0 0 0 0 0 0 0999 V2000 6.4282 7.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 6.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1409 5.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8564 6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8535 7.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 7.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 7.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5706 5.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 8.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4284 8.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7062 9.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2842 6.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9990 5.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7126 6.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0003 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 M END > L929 > 130 > 480 > 800 $$$$ Chemistry Accord 08251114402D 16 17 0 0 0 0 0 0 0 0999 V2000 6.4309 6.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4298 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 5.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 6.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1423 6.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7168 6.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7166 7.4759 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 6.2390 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.0638 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1398 7.4771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5703 6.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3210 6.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8709 6.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4556 7.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6491 7.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 6 11 1 0 0 0 0 5 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 12 1 0 0 0 0 M END > L930 > 105 > 420 $$$$ Chemistry Accord 08251114402D 23 24 0 0 0 0 0 0 0 0999 V2000 7.1483 7.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4340 7.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4338 8.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1496 9.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1498 9.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4340 10.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7166 9.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 9.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0072 8.7017 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 10.3587 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4327 11.1853 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 10.3523 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1485 6.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8633 7.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8589 8.7094 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 6.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 5.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1489 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8663 5.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8629 6.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5830 5.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2965 5.4229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9416 7.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 8 9 1 0 0 0 0 4 15 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 2 0 0 0 0 13 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 13 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 1 23 2 0 0 0 0 M END > L931 > 180 $$$$ Chemistry Accord 08251114402D 12 12 0 0 0 0 0 0 0 0999 V2000 7.1431 6.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4283 6.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4282 5.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1436 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8607 5.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8573 6.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5770 5.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2903 5.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 6.6511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 7.4732 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 7.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 2 9 1 0 0 0 0 1 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 M END > L932 > 70 > 300 > 500 $$$$ Chemistry Accord 08251114402D 9 9 0 0 0 0 0 0 0 0999 V2000 5.4857 5.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3107 5.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5675 6.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 6.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2332 6.4508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3524 6.7047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 7.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6107 8.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 1 9 1 0 0 0 0 M END > L933 > 62 > 174 > 290 $$$$ Chemistry Accord 08251114402D 11 12 0 0 0 0 0 0 0 0999 V2000 5.6802 5.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3949 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1113 5.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1079 6.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8269 5.0073 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.6803 6.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 6.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2302 7.4557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4086 7.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0689 6.7928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 3 5 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 2 0 0 0 0 M END > L934 > 178 > 280 $$$$ Chemistry Accord 08251114402D 14 15 0 0 0 0 0 0 0 0999 V2000 5.7105 5.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4254 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1419 5.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1385 6.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7106 6.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 6.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4294 7.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 7.8844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 8.7060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4373 9.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 7.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.4743 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4413 9.9484 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 M END > L935 > 70 > 120 > 200 $$$$ Chemistry Accord 08251114402D 11 12 0 0 0 0 0 0 0 0999 V2000 5.7139 6.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 6.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4259 5.6268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4259 7.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1379 6.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1424 6.0342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9294 5.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4113 6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9220 7.1197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 5.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6216 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 7 10 1 0 0 0 0 2 11 1 0 0 0 0 M END > L936 > 30 > 125 > 186 $$$$ Chemistry Accord 08251114402D 13 13 0 0 0 0 0 0 0 0999 V2000 6.4301 6.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 5.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1429 5.4128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8585 5.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8556 6.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1411 7.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7164 7.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7162 7.8873 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 6.6512 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.4755 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5676 7.0698 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5727 5.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2884 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 12 1 0 0 0 0 12 13 3 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 5 11 1 0 0 0 0 M STY 1 1 SUP M SAL 1 2 12 13 M SBL 1 1 1 M SMT 1 CN M END > L937 > 65 > 160 > 300 $$$$ Chemistry Accord 08251114402D 12 12 0 0 0 0 0 0 0 0999 V2000 6.4303 6.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4291 5.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1432 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8588 5.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 6.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1414 6.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 6.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7163 7.4748 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 6.2385 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.0629 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5681 6.6572 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5740 5.0015 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 5 11 1 0 0 0 0 4 12 1 0 0 0 0 M END > L938 > 65 > 160 > 300 $$$$ Chemistry Accord 08251114402D 12 12 0 0 0 0 0 0 0 0999 V2000 6.4303 6.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4291 5.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1432 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8588 5.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 6.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1414 6.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 6.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7163 7.4748 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 6.2385 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.0629 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5681 6.6572 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5740 5.0015 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 5 11 1 0 0 0 0 4 12 1 0 0 0 0 M END > L939 > 65 > 160 > 300 $$$$ Chemistry Accord 08251114402D 10 10 0 0 0 0 0 0 0 0999 V2000 5.7158 6.2385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 5.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4285 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1439 5.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1411 6.2422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4266 6.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8589 5.0015 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 7.4755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1372 7.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0005 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 2 10 1 0 0 0 0 M END > L940 > 65 > 270 > 450 $$$$ Chemistry Accord 08251114402D 11 11 0 0 0 0 0 0 0 0999 V2000 5.7158 6.2385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 5.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4285 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1439 5.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1411 6.2422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4266 6.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8589 5.0015 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 7.4755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1372 7.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0005 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8529 7.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 2 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > L941 > 65 > 270 > 450 $$$$ Chemistry Accord 08251114402D 12 12 0 0 0 0 0 0 0 0999 V2000 5.7158 6.2385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 5.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4285 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1439 5.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1411 6.2422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4266 6.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8589 5.0015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 7.4755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1372 7.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0005 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8529 7.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5728 5.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 2 10 1 0 0 0 0 9 11 1 0 0 0 0 7 12 1 0 0 0 0 M END > L942 > 45 > 115 $$$$ Chemistry Accord 08251114402D 13 14 0 0 0 0 0 0 0 0999 V2000 5.1698 7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1698 6.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8822 6.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8822 7.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5946 7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5992 6.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3866 6.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8688 7.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 7.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5787 7.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5787 6.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8807 5.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 7 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 3 12 1 0 0 0 0 12 13 2 0 0 0 0 M END > L943 > 65 > 270 > 450 $$$$ Chemistry Accord 08251114402D 10 10 0 0 0 0 0 0 0 0999 V2000 5.4857 5.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3107 5.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5675 6.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 6.9388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2332 6.4521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3524 6.7059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 7.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6107 8.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7948 5.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 M END > L944 > 140 $$$$