RDKit 3D 82 86 0 0 0 0 0 0 0 0999 V2000 0.9952 0.9876 -0.1426 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 0.2376 0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 0.6679 1.5436 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1345 1.8879 1.3212 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5545 1.6572 0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 2.8862 0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0014 3.5407 1.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7108 4.6998 1.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7191 5.2465 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3961 6.3986 -0.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 4.6274 -0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 5.1445 -2.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3302 3.4713 -0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9424 2.7452 2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 2.3430 3.4828 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4742 4.0165 2.6722 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 -1.0523 1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1716 -1.7620 2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5914 -3.0748 2.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0228 -3.6857 3.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3795 -4.7999 4.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 -5.2933 3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3361 -6.4298 3.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0991 -4.6774 2.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 -5.1608 1.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 -3.5387 1.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7226 -2.9228 0.3373 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0048 -3.3373 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2277 -2.7704 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3879 -3.2176 -0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3452 -4.2386 -1.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5069 -4.7034 -2.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1351 -4.8221 -1.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0764 -5.8594 -2.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9933 -4.3569 -1.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -1.5010 0.2750 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2711 -0.9514 -1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 -1.1108 -1.7063 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -0.2700 -1.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 0.2698 -3.0511 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2718 1.7975 -2.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 2.2411 -2.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 2.6231 -2.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8095 3.0349 -2.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8142 3.0583 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9022 3.4492 -0.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6816 2.6758 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6983 2.7042 1.2135 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 2.2670 -0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3516 -0.1181 -3.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2919 -0.8691 -3.5412 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4252 0.3574 -5.2289 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6145 2.3290 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1212 1.0503 1.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5454 1.0805 -0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0426 3.1533 2.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2604 5.2001 2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9439 6.9467 0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 5.9823 -2.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7978 3.0093 -1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1842 4.8519 2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 -1.3891 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8672 -3.2517 4.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6705 -5.3234 4.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0953 -6.8339 3.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7067 -5.9700 1.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0854 -3.4246 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 -1.9714 0.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3552 -2.7919 -0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4264 -5.4685 -2.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 -6.3151 -3.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0638 -4.8767 -1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.9634 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2743 0.0643 -3.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1409 2.2938 -3.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4269 2.1503 -2.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 2.6100 -3.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 3.3398 -2.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7658 3.7447 -0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5295 3.0005 1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6788 1.9763 -0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 1.2841 -5.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 52 50 1 0 50 51 2 0 50 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 47 49 2 0 40 39 1 0 39 37 1 0 37 38 2 0 37 36 1 0 36 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 2 0 27 26 1 0 26 24 2 0 24 25 1 0 24 22 1 0 22 23 1 0 22 21 2 0 21 20 1 0 20 19 2 0 19 18 1 0 18 17 2 0 17 2 1 0 2 1 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 2 0 4 14 1 0 14 16 1 0 14 15 2 0 49 42 1 0 17 36 1 0 13 6 1 0 35 28 1 0 19 26 1 0 52 82 1 0 40 74 1 6 41 75 1 0 41 76 1 0 43 77 1 0 44 78 1 0 46 79 1 0 48 80 1 0 49 81 1 0 36 73 1 1 27 67 1 6 29 68 1 0 30 69 1 0 32 70 1 0 34 71 1 0 35 72 1 0 25 66 1 0 23 65 1 0 21 64 1 0 20 63 1 0 18 62 1 0 4 53 1 6 5 54 1 0 5 55 1 0 7 56 1 0 8 57 1 0 10 58 1 0 12 59 1 0 13 60 1 0 16 61 1 0 M END