RDKit 3D 54 56 0 0 0 0 0 0 0 0999 V2000 -7.8394 1.2309 -1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7102 1.7192 -1.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4733 1.6894 -1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3558 1.1494 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4893 0.6188 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7309 0.7054 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4504 0.2026 2.1396 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7424 1.1499 0.9357 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 -0.2463 0.0247 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5207 -1.6366 0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3272 -2.0497 1.7212 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.3682 -2.7893 1.9734 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1632 -1.6590 2.5474 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.4206 -0.1922 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7461 -0.0407 1.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 -0.0390 1.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 -0.1830 0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 -0.3312 -0.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 -0.3384 -1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -0.2159 0.3375 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5161 -1.6324 0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 -2.3792 -0.8686 N 0 0 0 0 0 4 0 0 0 0 0 0 2.3599 -3.1552 -0.9336 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -2.2038 -1.7647 O 0 0 0 0 0 1 0 0 0 0 0 0 3.7454 0.9141 -0.8858 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3589 1.1006 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4783 1.9380 0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7155 2.1200 1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8431 1.4850 1.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7328 0.6616 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 0.4246 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4504 -0.3053 -1.8216 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8115 1.2807 -1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7971 2.1471 -2.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6067 2.1108 -1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6311 0.3697 0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 -0.0868 2.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1692 -0.4591 2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 -0.0330 -1.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5957 -1.6908 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0318 -2.4003 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2954 0.0720 2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 0.0749 2.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 -0.4508 -1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1292 -0.4633 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1729 0.2465 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0252 -2.2216 1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 -1.6392 0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6130 2.4719 1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 2.7773 2.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8155 1.6485 1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6319 0.2095 -0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5231 -0.6615 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1672 -1.0147 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 9 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 17 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 20 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 6 1 1 0 19 14 1 0 31 26 1 0 1 33 1 0 2 34 1 0 3 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 9 39 1 6 10 40 1 0 10 41 1 0 15 42 1 0 16 43 1 0 18 44 1 0 19 45 1 0 20 46 1 1 21 47 1 0 21 48 1 0 27 49 1 0 28 50 1 0 29 51 1 0 30 52 1 0 32 53 1 0 32 54 1 0 M CHG 4 11 1 13 -1 22 1 24 -1 M END