RDKit 3D 41 44 0 0 0 0 0 0 0 0999 V2000 9.0081 -0.2475 0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5800 -0.1025 0.5532 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8882 0.1017 -0.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5639 0.1731 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 0.0003 1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7938 -0.1661 1.6446 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3305 0.3964 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1102 0.4448 -0.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1876 0.6561 -1.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7465 0.7590 -2.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4479 0.5957 -2.8643 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 0.7479 -1.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1001 0.8962 -2.2987 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4449 0.6371 -0.0849 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8983 0.4433 0.2779 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1877 -0.4474 1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2884 -0.9032 2.0151 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5941 -0.7681 1.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1476 -1.5668 2.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5021 -1.5683 2.0561 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6857 -0.7735 1.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5123 -0.2245 0.5666 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9127 -0.4130 0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1385 -0.9387 0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3313 -0.6114 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3139 0.2464 -0.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1062 0.7771 -1.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9126 0.4498 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2116 -1.2263 1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4836 -0.1742 -0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3704 0.5519 1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3866 0.1757 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7161 -0.0107 1.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 0.9187 -3.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1658 0.3130 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5974 0.6709 -0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1720 -1.6115 1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2724 -1.0273 0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2419 0.5012 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0925 1.4465 -2.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9849 0.8784 -1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 9 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 6 2 1 0 11 7 1 0 22 18 1 0 28 23 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 5 33 1 0 10 34 1 0 14 35 1 0 15 36 1 0 24 37 1 0 25 38 1 0 26 39 1 0 27 40 1 0 28 41 1 0 M END