RDKit 3D 44 47 0 0 0 0 0 0 0 0999 V2000 4.5964 1.4933 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9248 0.3950 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4841 0.2170 -1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 -0.3999 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 -0.8997 1.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5629 -2.0804 0.8587 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7279 -0.1357 2.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 -0.7224 2.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 -0.5475 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 -1.1906 1.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 -0.4286 2.7516 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2191 -0.0743 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1377 0.5224 -1.5163 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 0.6663 -1.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7666 1.2364 -2.9208 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 0.9742 -2.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 1.1299 -1.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6161 0.3563 -0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6323 -0.1852 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2705 -0.7864 1.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -0.6393 0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6591 -1.0755 1.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9753 -0.8247 1.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2356 -0.0996 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1789 0.3388 -0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 0.0759 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 1.8742 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8601 2.3148 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5608 1.1314 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0136 0.5639 -2.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 -0.5584 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5052 0.0163 3.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2603 -1.5402 2.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2680 -1.1877 3.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 -2.2519 1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 1.9979 -2.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7972 0.3494 -3.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9257 0.8431 -2.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 2.2279 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8263 -1.2913 1.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4467 -1.6377 2.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8191 -1.1572 1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2666 0.0912 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3896 0.8985 -1.5479 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 5 7 1 0 7 8 1 0 4 9 1 0 9 10 1 0 10 11 2 0 9 12 2 0 12 13 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 13 14 1 0 14 15 2 0 14 3 1 0 19 12 1 0 26 21 1 0 26 18 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 8 32 1 0 8 33 1 0 8 34 1 0 10 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 20 40 1 0 22 41 1 0 23 42 1 0 24 43 1 0 25 44 1 0 M END