RDKit 3D 49 51 0 0 0 0 0 0 0 0999 V2000 -0.5882 4.4953 -0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 3.0661 -0.3032 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1266 2.6447 -0.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6841 3.3325 -1.7672 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 1.4521 -0.3892 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7622 0.7174 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 1.1696 -1.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7372 0.4274 -2.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0095 -0.7850 -1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1793 -1.2717 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 -0.5244 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2706 -1.0840 0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5794 -2.3169 1.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6851 -3.0289 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4825 -2.5056 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 2.2374 -0.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4735 1.0479 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7498 0.6320 0.7629 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6172 0.2759 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5467 0.8998 -1.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6204 0.1789 -2.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7717 -1.1681 -1.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8551 -1.7975 -0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7829 -1.0855 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -1.7742 0.4995 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3904 -2.4327 1.9588 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 -2.9356 2.6258 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5367 -3.2827 1.7256 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9335 -0.9923 2.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7222 4.5797 -1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1889 5.2018 -0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5364 4.7950 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1535 3.0321 0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0088 1.0300 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4509 2.1030 -2.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3894 0.7960 -2.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8826 -1.3500 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 -0.5689 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9511 -2.7153 2.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 -3.9876 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3502 -3.0770 -0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4488 1.9498 -1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3341 0.6661 -2.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6000 -1.7370 -2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9808 -2.8584 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 -1.3008 0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7771 -0.5362 2.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1004 -0.2947 2.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2507 -1.3199 3.8499 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 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 2 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 2 0 26 29 1 0 11 6 1 0 15 10 1 0 24 19 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 1 5 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 23 45 1 0 25 46 1 0 29 47 1 0 29 48 1 0 29 49 1 0 M END