RDKit 3D 57 61 0 0 0 0 0 0 0 0999 V2000 -7.7597 0.8102 0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4638 0.9999 1.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4666 1.5083 2.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2477 1.7247 3.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 1.4061 2.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0417 0.8743 1.4354 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1922 0.6633 0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 0.1591 -0.5003 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5301 0.0786 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9699 0.4645 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 0.4378 1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3123 -0.0432 2.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4913 0.9630 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5019 2.0784 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9502 2.2175 -0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3619 3.0951 -1.6531 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6839 1.1892 -0.3163 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8268 0.2870 0.4091 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8101 -1.1246 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 -2.2369 0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8275 -3.5346 0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7711 -3.7286 -1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7206 -2.6457 -2.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 -1.3486 -1.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7627 -5.0117 -1.6754 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0581 1.0581 -0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6974 0.1191 0.3205 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0644 0.1922 0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 1.2033 -0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0688 2.0962 -1.2419 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7587 1.5972 -1.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9944 2.6943 -1.7922 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8928 0.6072 -1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8975 -0.7974 0.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 2.9480 -0.7226 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.8721 -0.4482 -1.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6278 1.1205 1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8934 -0.2451 0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7573 1.3999 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3956 1.7857 3.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3103 2.1477 4.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1215 1.5491 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1743 0.2695 1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -2.0944 1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8538 -4.3874 0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6733 -2.7802 -3.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6927 -0.5054 -2.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 -4.9747 -2.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5637 -0.3952 -1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6884 0.8944 -1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2994 0.6150 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3089 -1.2966 1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7461 -0.3138 1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2645 -1.5708 0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 0.1739 -2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 -1.4679 -1.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5771 -0.4771 -2.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 22 25 1 0 17 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 31 33 1 0 28 34 1 0 14 35 1 0 9 36 1 0 7 2 1 0 10 6 1 0 18 13 1 0 24 19 1 0 30 26 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 4 41 1 0 5 42 1 0 18 43 1 1 20 44 1 0 21 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 33 49 1 0 33 50 1 0 33 51 1 0 34 52 1 0 34 53 1 0 34 54 1 0 36 55 1 0 36 56 1 0 36 57 1 0 M CHG 1 35 -1 M END