RDKit 3D 53 55 0 0 0 0 0 0 0 0999 V2000 -4.5403 0.4248 -0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2415 1.2214 -0.0030 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0343 0.5984 -0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3012 1.2425 -1.5272 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 0.3764 -2.0173 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 -0.7656 -1.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 -0.6868 -0.4565 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9662 -1.6720 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2109 -1.3263 1.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6595 -2.2993 2.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8681 -3.6074 2.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6229 -3.9552 0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1688 -2.9899 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -4.7932 3.3622 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5919 -2.1053 -1.5721 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9104 -1.3710 -2.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8011 -0.4732 -1.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7671 0.7495 -1.8448 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6198 -1.1838 -0.8752 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6477 -0.6740 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3929 -1.6044 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4713 -1.1945 1.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 0.1553 1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0536 1.0819 0.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9774 0.6773 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3498 2.4994 0.8979 N 0 0 0 0 0 4 0 0 0 0 0 0 6.4624 3.0116 2.0187 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4357 3.1062 -0.1819 O 0 0 0 0 0 1 0 0 0 0 0 0 8.2213 0.5566 2.4621 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4162 2.6584 -0.5344 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.0540 2.7908 -1.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 3.6074 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5654 -0.4399 0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4255 1.0135 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6482 0.0457 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0412 1.3447 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0061 -0.3365 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 -2.0420 3.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7872 -4.9753 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0178 -3.2872 -1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5192 -2.1819 -2.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5038 -0.8078 -3.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 -2.1905 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 -2.6667 0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0419 -1.9436 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4291 1.4337 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4394 2.9627 -0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4601 2.2320 -2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0780 2.4204 -1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0541 3.8584 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4757 3.4851 1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0717 3.3944 0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 4.6247 0.0928 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 6 7 1 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 11 14 1 0 6 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 2 0 26 28 1 0 23 29 1 0 2 30 1 0 30 31 1 0 30 32 1 0 7 3 1 0 13 8 1 0 25 20 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 1 9 37 1 0 10 38 1 0 12 39 1 0 13 40 1 0 16 41 1 0 16 42 1 0 19 43 1 0 21 44 1 0 22 45 1 0 25 46 1 0 30 47 1 0 31 48 1 0 31 49 1 0 31 50 1 0 32 51 1 0 32 52 1 0 32 53 1 0 M CHG 3 26 1 28 -1 30 1 M END