RDKit 3D 89 94 0 0 0 0 0 0 0 0999 V2000 8.8856 4.5487 -1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6150 3.5255 -0.6615 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9286 2.5192 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5308 2.5110 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8509 1.5102 0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3807 1.5144 0.7111 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7973 1.8041 -0.4898 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5907 1.1627 -0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3155 0.4656 0.7017 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8953 -0.9599 0.5693 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5255 -1.2009 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0609 -1.1083 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -1.3503 -1.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -1.7069 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4916 -1.9323 -0.8112 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5993 -2.2707 -0.1097 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0144 -3.5528 -0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 -4.0518 0.3242 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2400 -5.4888 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0845 -6.2590 -0.0817 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2374 -3.2800 0.2986 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0350 -3.7205 1.3362 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9139 -1.8235 0.5098 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0545 -1.0329 0.3541 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8075 -1.3792 -0.4145 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5538 -0.0500 -0.1913 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7191 0.7346 -1.3317 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5025 1.3660 -1.5784 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3039 2.3083 -0.5805 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8407 2.6580 -0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0471 3.5669 -0.9777 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3456 4.3495 0.1361 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3011 3.1386 -1.7098 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0863 3.0475 -3.0853 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7861 1.7939 -1.1589 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9118 1.4568 -1.9003 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7361 -1.8005 0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5945 -2.1472 1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -2.2304 3.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6105 -1.5470 1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8842 -1.4807 -0.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 -0.9436 0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7849 0.2103 1.1178 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5885 0.5227 1.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9866 0.5323 1.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6703 1.5343 0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0743 1.5536 0.5627 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 5.2090 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4356 5.1701 -0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 4.0565 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9593 3.2925 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0265 2.2741 1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7601 1.7576 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7641 0.3342 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7807 1.0595 1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -1.4271 1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7852 -0.8344 -1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 -1.2722 -2.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5635 -2.3750 0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4616 -4.0380 1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6133 -5.4580 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9875 -5.9612 0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4003 -5.7339 -0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7111 -3.4795 -0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8032 -4.2704 1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5769 -1.6992 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4072 -0.6998 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 -1.6211 -1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0158 0.0889 -2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 1.8965 0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5863 3.4669 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 3.1045 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1693 1.8155 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3511 4.1358 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3085 4.3207 0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1031 3.8665 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4214 3.6869 -3.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0625 1.9663 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6883 0.8638 -2.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6101 -1.2583 3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2272 -2.9767 3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -2.5344 3.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.6369 2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7213 -0.6007 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5964 -1.7977 0.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 -0.0282 2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0918 -0.2653 1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5438 -0.2659 1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6341 0.8507 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 44 2 0 44 45 1 0 45 46 2 0 46 47 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 43 1 0 43 42 1 0 42 41 1 0 41 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 14 37 1 0 37 38 1 0 38 39 1 0 37 40 2 0 46 3 1 0 43 6 1 0 40 11 1 0 10 9 1 0 25 16 1 0 35 27 1 0 1 48 1 0 1 49 1 0 1 50 1 0 4 51 1 0 44 87 1 0 45 88 1 0 47 89 1 0 6 52 1 1 8 53 1 0 8 54 1 0 9 55 1 1 43 86 1 1 42 84 1 0 42 85 1 0 10 56 1 1 12 57 1 0 13 58 1 0 16 59 1 1 18 60 1 1 19 61 1 0 19 62 1 0 20 63 1 0 21 64 1 6 22 65 1 0 23 66 1 1 24 67 1 0 25 68 1 6 27 69 1 6 29 70 1 1 30 71 1 0 30 72 1 0 30 73 1 0 31 74 1 6 32 75 1 0 33 76 1 6 34 77 1 0 35 78 1 1 36 79 1 0 39 80 1 0 39 81 1 0 39 82 1 0 40 83 1 0 M END