RDKit 3D 95100 0 0 0 0 0 0 0 0999 V2000 -1.3653 -0.8581 3.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0234 -0.3291 2.2245 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 -0.3482 1.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2892 -0.8995 2.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5883 -0.9231 2.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9676 -0.4152 0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3828 -0.4620 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1305 0.7944 0.8603 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5426 0.7142 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4472 -0.1300 1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7616 -0.2450 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6501 -1.0921 1.3264 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1729 -1.8508 2.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2161 0.4907 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5555 0.3628 -0.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5680 1.1880 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3498 1.3332 -1.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8611 2.0470 -2.1539 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0254 1.4326 -0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1668 2.3589 -1.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7349 2.1121 -1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 1.9266 0.2778 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5242 3.1201 1.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 0.1352 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 0.1652 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 0.7267 -0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3366 -0.0753 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4236 -1.4285 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4995 -2.1559 -1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 -1.5794 -1.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6633 -2.3197 -2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8294 -2.3379 -1.3380 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2120 -0.9597 -0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7866 -0.3816 0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1530 0.8967 0.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7253 1.4869 1.8163 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8851 0.7115 2.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9802 1.5801 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3658 2.8621 0.0796 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5393 3.1370 0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4078 1.0056 -1.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2427 1.6801 -2.3389 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0343 -0.2728 -1.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4660 -0.9330 -3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6184 -2.4013 -2.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9112 -3.0600 -1.9162 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7683 -3.6981 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4283 -0.2280 -2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3639 0.4910 -1.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 -0.7283 3.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -1.9656 3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -0.3387 4.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0064 -1.2982 3.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3413 -1.3630 2.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4446 -0.6004 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -1.3570 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1012 0.8955 1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0669 -0.6920 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6401 -1.2367 3.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0850 -2.2483 2.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 -2.7185 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 1.5183 0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7668 2.0692 -0.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4840 0.5472 -0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 2.6775 -2.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3226 2.1465 -2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4893 3.3890 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0754 2.9584 -1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 1.1810 -1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 3.4670 1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0263 3.9556 0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9425 3.0135 2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2389 0.5429 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 -1.9186 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5633 -3.2365 -0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 -3.3848 -2.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9103 -1.9336 -3.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4948 -2.8843 -0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1367 -0.9550 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3998 -0.2780 2.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 0.5015 2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7239 1.1771 3.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3488 2.4869 0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8263 4.1941 0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3697 2.9011 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5147 2.6170 -2.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4765 -0.4957 -3.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8030 -0.5808 -3.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7036 -2.7031 -2.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2898 -2.8504 -3.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2641 -3.8326 0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7245 -3.1358 -0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0200 -4.7205 -1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2109 0.2801 -2.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2726 1.5621 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 46 1 0 46 47 1 0 46 45 1 0 45 44 1 0 44 43 1 0 43 41 2 0 41 42 1 0 41 38 1 0 38 39 1 0 39 40 1 0 38 35 2 0 35 36 1 0 36 37 1 0 35 34 1 0 34 33 2 0 30 48 1 0 48 49 2 0 25 24 1 0 24 6 2 0 6 7 1 0 7 8 1 0 8 22 1 0 22 23 1 0 22 21 1 0 21 20 1 0 20 19 1 0 19 17 2 0 17 18 1 0 17 14 1 0 14 15 1 0 15 16 1 0 14 11 2 0 11 12 1 0 12 13 1 0 11 10 1 0 10 9 2 0 6 5 1 0 5 4 2 0 4 3 1 0 49 27 1 0 9 8 1 0 33 32 1 0 9 19 1 0 33 43 1 0 1 50 1 0 1 51 1 0 1 52 1 0 28 74 1 0 29 75 1 0 31 76 1 0 31 77 1 0 32 78 1 1 47 91 1 0 47 92 1 0 47 93 1 0 45 89 1 0 45 90 1 0 44 87 1 0 44 88 1 0 42 86 1 0 40 83 1 0 40 84 1 0 40 85 1 0 37 80 1 0 37 81 1 0 37 82 1 0 34 79 1 0 48 94 1 0 49 95 1 0 24 73 1 0 7 55 1 0 7 56 1 0 8 57 1 1 23 70 1 0 23 71 1 0 23 72 1 0 21 68 1 0 21 69 1 0 20 66 1 0 20 67 1 0 18 65 1 0 16 62 1 0 16 63 1 0 16 64 1 0 13 59 1 0 13 60 1 0 13 61 1 0 10 58 1 0 5 54 1 0 4 53 1 0 M END