RDKit 3D 47 50 0 0 0 0 0 0 0 0999 V2000 2.2106 -4.4344 0.6545 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8179 -3.2730 0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6659 -2.1792 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2463 -0.9018 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1754 0.2232 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5366 0.1141 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3837 1.1964 -0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8642 2.4600 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6847 3.5237 -0.6949 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4803 2.5889 -0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6629 1.5042 -0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 -0.7087 0.0312 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 -1.6873 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2808 -1.2617 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5652 0.1170 -0.1621 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6057 0.0979 -1.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7851 0.6677 -0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7301 2.1788 -0.5029 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7558 2.5233 0.3994 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 2.3581 0.2501 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4085 2.5019 -0.7279 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1246 0.9956 0.9421 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0325 1.3348 1.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1696 -2.2730 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5394 -2.0455 0.4295 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8101 -3.5934 0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4788 -3.9401 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0327 -5.2276 0.8801 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4498 -2.9690 0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7423 -2.3797 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9989 -0.8560 0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 1.0870 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0706 4.1599 -0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0972 3.6035 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5944 1.5966 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 0.6600 -0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5429 0.5088 -1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2492 0.2915 0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8004 2.7379 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4514 3.3518 0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4207 3.1711 0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7933 2.3875 -1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 0.6185 1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 2.2646 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2531 -2.7013 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5317 -4.3964 0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 -5.9964 1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 19 18 1 0 18 17 1 0 17 16 1 0 16 15 1 0 15 22 1 0 22 23 1 0 22 20 1 0 20 21 1 0 15 14 1 0 14 13 2 0 13 12 1 0 12 4 1 0 4 3 2 0 3 2 1 0 2 1 2 0 2 29 1 0 29 27 2 0 27 28 1 0 27 26 1 0 26 24 2 0 24 25 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 20 18 1 0 24 14 1 0 11 5 1 0 29 13 1 0 19 40 1 0 18 39 1 6 17 37 1 0 17 38 1 0 15 36 1 6 22 43 1 1 23 44 1 0 20 41 1 1 21 42 1 0 3 30 1 0 28 47 1 0 26 46 1 0 25 45 1 0 6 31 1 0 7 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 M END