MDL Molfile Mrv1820 03282423272D 119123 0 0 0 0 999 V2000 20.6021 0.2825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9040 0.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3029 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1059 0.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1945 0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8926 1.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0234 0.2907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2914 1.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7063 1.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4712 0.6341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2057 -0.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7329 0.6962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7621 0.2358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4601 1.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7217 1.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4559 0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0411 0.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1719 1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4333 1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1769 0.7172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4674 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3293 0.2230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0300 1.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1606 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4222 2.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1654 1.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9113 0.3244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6087 0.5921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3408 -0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8814 3.1460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1428 3.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8636 1.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6208 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9224 -0.5004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8991 0.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0637 -1.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8700 3.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8522 2.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3414 0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.6094 1.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6434 -0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1995 -0.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1084 0.6003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9103 -0.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0752 -1.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1356 4.3846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5909 4.4072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5756 3.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0532 0.7381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.6545 -1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3514 0.1529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5080 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8070 -2.2357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.0421 1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7853 0.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6193 0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3740 -0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1984 -0.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8320 -3.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7627 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4948 0.7509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7853 -0.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9098 0.1189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6078 1.3575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1089 -3.4855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5414 -3.4629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.4833 1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7513 2.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1865 0.5093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9210 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4770 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6530 -1.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7540 0.4963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4884 -0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6645 -1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0446 0.0979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7540 1.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3990 -2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3239 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4658 1.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4101 -3.1648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6121 0.0849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3125 1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1754 1.3342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4547 2.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8912 0.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6121 -0.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1817 0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3351 -1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4587 0.4626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1817 -0.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3351 -1.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4476 1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7493 0.0639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0786 -2.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6371 -2.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1705 1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 0.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1705 2.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8801 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 0.0511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0171 1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8686 2.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5895 1.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5846 0.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5895 2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8752 0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0285 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 2.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1633 0.4204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8752 -0.7818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7493 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0397 -2.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 0.0511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3124 -0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2105 -1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 9 1 0 0 0 0 10 5 1 0 0 0 0 5 11 2 0 0 0 0 12 7 1 1 0 0 0 10 13 1 1 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 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