RDKit 3D 42 43 0 0 0 0 0 0 0 0999 V2000 -4.5504 2.5414 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7112 1.1332 -0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 0.4336 -0.6339 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.7027 0.0567 0.6486 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5109 -1.0014 1.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 -0.3772 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7784 -1.5625 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5902 -1.5539 -0.3436 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.4141 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 0.7479 0.5850 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 -0.0848 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2068 0.5023 1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5697 0.8275 1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 0.5306 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 -0.0599 -1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3228 -0.3665 -1.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7233 -1.0187 -2.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2403 1.4174 2.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -2.8158 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5032 3.0765 -0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2469 2.5431 1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8074 3.1040 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0939 1.1632 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3927 0.5315 0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 1.0236 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5027 -0.4158 -1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6762 0.9629 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7895 -1.8417 0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9465 -1.3998 2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4373 -0.5763 1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6489 0.6959 1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3752 0.7486 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 -0.2862 -2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5254 -2.0771 -2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7961 -0.5165 -2.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4008 -0.9577 -3.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0885 2.0455 1.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6004 0.6189 2.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5456 2.0513 2.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3727 -2.5983 -1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8457 -3.4867 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 -3.3445 0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 13 18 1 0 7 19 1 0 10 6 1 0 16 11 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 1 5 28 1 0 5 29 1 0 5 30 1 0 12 31 1 0 14 32 1 0 15 33 1 0 17 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 M CHG 1 3 1 M END