RDKit 3D 46 50 0 0 0 0 0 0 0 0999 V2000 3.9589 2.4924 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3937 1.6895 0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 0.7159 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -0.5879 0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8836 -0.9489 1.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7811 -1.5559 0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6517 -1.2389 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3689 0.0573 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2976 1.0227 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 2.3192 -0.5286 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 0.3225 -1.3593 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6168 1.2360 -2.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5808 1.6131 -1.5229 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9455 1.9558 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1018 1.0167 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4919 -0.3245 0.3110 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6669 -0.4456 1.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4273 -1.4772 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6317 -1.5412 0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 -2.5263 -0.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5903 -2.0632 -0.9512 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2013 -2.4147 -0.5918 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0681 -3.4030 0.3661 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8569 -0.6181 -1.0171 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7327 2.4708 -0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6854 3.2109 0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 1.7652 2.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6484 -0.1620 1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2774 -1.9292 1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5524 -0.9768 2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 -2.5877 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 3.0714 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3025 1.7882 -2.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8656 0.7377 -3.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 1.5491 -2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 1.9507 0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 2.9693 -0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8386 1.0721 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5152 1.3790 1.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3678 -1.4797 1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8582 0.2621 1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -0.1873 2.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8925 -2.5722 -1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2999 -2.8397 -1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0681 -4.3007 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7058 -0.4867 -1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 5 4 1 0 4 3 2 0 3 2 1 0 2 1 2 3 3 9 1 0 9 10 1 0 9 8 2 0 8 7 1 0 7 6 2 0 7 22 1 0 22 23 1 0 22 21 1 0 21 20 1 0 20 18 1 0 18 19 2 0 18 16 1 0 16 17 1 1 16 15 1 0 15 14 1 0 14 13 1 0 13 12 1 0 11 12 1 6 11 24 1 0 6 4 1 0 24 21 1 0 11 8 1 0 24 16 1 0 11 13 1 0 5 28 1 0 5 29 1 0 5 30 1 0 2 27 1 0 1 25 1 0 1 26 1 0 10 32 1 0 6 31 1 0 22 44 1 6 23 45 1 0 21 43 1 6 17 40 1 0 17 41 1 0 17 42 1 0 15 38 1 0 15 39 1 0 14 36 1 0 14 37 1 0 13 35 1 6 12 33 1 0 12 34 1 0 24 46 1 6 M END