RDKit 3D 100100 0 0 0 0 0 0 0 0999 V2000 8.6576 1.6714 -3.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2290 0.8176 -2.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3286 0.7182 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9302 -0.1902 -0.1365 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0365 -0.2523 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5626 -0.0111 0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0839 0.1368 1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9518 0.1398 2.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5942 0.3440 1.7025 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4838 1.7004 2.0701 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7541 0.1155 0.5032 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9235 -1.3396 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2982 0.2765 0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 1.1340 0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0558 1.3123 0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1774 0.9922 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -0.3782 -1.0752 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5810 -0.7037 -1.5073 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 -1.5064 -0.2575 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0124 -2.7742 -1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6536 -1.3218 0.2597 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6674 -0.1800 1.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7058 -1.1998 -0.7557 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8312 -2.4464 -1.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0194 -0.6207 -0.4632 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7337 -0.6626 -1.7183 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9186 -1.1437 0.5843 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3446 -1.0171 1.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3108 -0.4967 0.4888 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1803 0.8406 0.6665 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3476 1.5437 0.8681 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4567 2.7566 -0.0629 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4309 2.3395 -1.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3499 3.6756 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5281 3.4175 1.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2524 4.8532 -0.4397 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6033 0.7246 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4352 -0.3991 1.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2902 -1.2460 1.2789 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9700 -2.3116 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9264 2.7011 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4684 1.1825 -4.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7755 1.7744 -4.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9661 -0.1832 -2.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3025 1.2690 -1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5012 1.7575 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2485 0.3038 -1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9600 -1.2269 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1509 0.5363 1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0251 -0.1505 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1622 -1.3025 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7641 0.0138 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2545 -0.0078 3.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6094 -0.7405 2.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4106 1.1133 2.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 -0.2578 2.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3469 2.2021 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 0.8374 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9176 -1.4186 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0264 -1.9529 0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7721 -1.8361 0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8872 -0.3262 1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9676 1.7194 -0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8268 0.8015 1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9414 2.4111 0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8634 1.3371 -0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 1.6646 -1.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3129 -0.4066 -2.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9877 -1.4417 -1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 -1.6142 0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6573 -3.6042 -0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -3.1737 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2357 -2.5931 -2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 -2.1929 0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4766 -0.4400 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 -0.4517 -1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -2.5169 -2.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 -3.3348 -1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 -2.3852 -2.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 0.5016 -0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1403 -0.2405 -2.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0737 -2.2771 0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 -1.7390 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 -1.1529 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 0.0567 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6138 -0.6250 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2978 1.9641 1.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4245 3.2583 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4561 1.8305 -1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2701 1.6481 -1.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5118 3.2602 -2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1811 4.8377 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4355 1.3628 1.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8106 0.3269 -0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1177 0.0444 2.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3906 -0.9586 1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8622 -1.8056 2.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0174 -1.9071 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9930 -2.5121 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3746 -3.2491 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 31 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 29 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 3 47 1 0 4 48 1 6 5 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 8 53 1 0 8 54 1 0 8 55 1 0 9 56 1 1 10 57 1 0 11 58 1 6 12 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 6 18 69 1 0 19 70 1 1 20 71 1 0 20 72 1 0 20 73 1 0 21 74 1 1 22 75 1 0 23 76 1 6 24 77 1 0 24 78 1 0 24 79 1 0 25 80 1 1 26 81 1 0 27 82 1 6 28 83 1 0 28 84 1 0 28 85 1 0 29 86 1 6 31 87 1 1 32 88 1 1 33 89 1 0 33 90 1 0 33 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 1 40 98 1 0 40 99 1 0 40100 1 0 M END