RDKit 3D 39 40 0 0 0 0 0 0 0 0999 V2000 4.5449 -0.6635 2.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -0.3067 1.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0351 -0.7766 2.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -0.4895 1.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6706 0.2671 0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 0.7520 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1036 0.5017 0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3232 1.0135 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4603 1.4707 -1.1967 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0884 1.4823 -1.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.9071 -2.3339 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 0.7246 -0.1750 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4098 -0.4027 -0.6678 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.9191 -0.3164 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4573 0.9694 -1.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2429 -0.3681 1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5131 -1.5780 -1.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8244 -2.5913 -0.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4723 -1.6023 -2.5656 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0048 0.2222 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4478 -1.4259 2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2082 -1.0726 1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1275 -1.3762 3.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1147 -0.8538 2.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1032 1.3069 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7174 0.2413 -0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1009 1.9065 -0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1073 1.8895 -1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1314 1.4241 0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 -1.2878 -0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2246 -0.5219 -1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1082 1.1022 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 0.9531 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 1.8593 -0.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7961 -1.2472 1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 0.5191 1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3259 -0.4282 1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6268 -0.7697 -3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8975 -2.4343 -2.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 17 18 2 0 17 19 1 0 7 2 1 0 12 5 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 4 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 12 29 1 1 13 30 1 0 13 31 1 0 15 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 19 38 1 0 19 39 1 0 M CHG 1 13 1 M END