RDKit 3D 36 36 0 0 0 0 0 0 0 0999 V2000 4.6343 0.8857 -1.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5259 -0.0137 -0.5302 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 -0.1504 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 -1.1243 -0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0983 -2.3532 -2.0595 I 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -1.2785 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7061 -0.4987 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 -0.6658 1.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7229 0.1567 1.0800 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0134 -0.1373 1.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1019 -1.2227 2.4289 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0901 0.7198 1.8318 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.0463 0.0382 -0.2907 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.1862 -1.2657 -0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 0.7156 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 0.7724 -1.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5552 0.4757 1.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8088 0.6463 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0986 2.1273 1.8232 I 0 0 0 0 0 0 0 0 0 0 0 0 5.6283 0.8034 -2.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6046 1.9061 -1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 0.6972 -2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 -2.0529 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9159 -1.7587 1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5483 -0.3448 2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 1.2237 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8726 -2.0885 -0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5578 -1.3972 -1.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2188 -1.5282 -1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3059 0.8677 -1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1860 0.0619 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3722 1.7163 -0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5476 0.1066 -1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5106 1.5772 -1.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 1.2739 -0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 1.1086 2.4138 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 12 1 0 10 11 2 0 9 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 7 17 1 0 17 18 2 0 18 19 1 0 18 3 1 0 1 20 1 0 1 21 1 0 1 22 1 0 6 23 1 0 8 24 1 0 8 25 1 0 9 26 1 6 14 27 1 0 14 28 1 0 14 29 1 0 15 30 1 0 15 31 1 0 15 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 17 36 1 0 M CHG 2 12 -1 13 1 M END