RDKit 3D 45 46 0 0 0 0 0 0 0 0999 V2000 -0.4570 3.2072 1.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 2.3538 0.6675 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0835 3.3657 -0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1806 1.3290 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1722 0.0751 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2211 -0.5812 0.7304 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8996 0.0087 1.7204 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1589 -1.2242 -0.3113 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0557 -2.1848 0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 -0.2062 -0.8941 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3676 -2.0340 -1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0987 -2.1933 -0.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -0.8410 -0.8652 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0806 -0.6962 -0.3814 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2201 -0.8026 1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9869 -1.6598 -0.9568 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0277 -2.8229 -0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2337 -4.1899 0.4260 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5146 0.7377 -0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3534 1.6497 -0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3252 2.5696 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0432 3.7012 2.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 4.0066 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 2.0896 1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4918 3.3342 -1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 4.3786 0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 3.0995 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7497 -1.5127 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6359 -0.1876 2.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8191 -2.5873 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -3.0132 0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 -1.7086 1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -0.5187 -1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3593 -1.4738 -2.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8286 -3.0149 -1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -2.8106 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5452 -2.7784 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6423 -0.4274 -1.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9702 0.1539 1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3236 -0.9574 1.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7072 -1.6729 1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 0.6449 -1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2044 1.1329 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 1.5673 -1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7124 2.6942 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 6 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 1 14 19 1 0 19 20 1 0 14 16 1 0 16 17 2 0 17 18 2 0 20 4 1 0 13 5 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 1 3 25 1 0 3 26 1 0 3 27 1 0 6 28 1 1 7 29 1 0 9 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 6 15 39 1 0 15 40 1 0 15 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 M END