RDKit 3D 131135 0 0 0 0 0 0 0 0999 V2000 11.4375 1.0617 -2.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3020 1.8538 -0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3434 2.7378 -0.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0243 3.6090 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5836 3.3815 0.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3446 2.0289 1.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1544 1.6383 2.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5260 1.1351 0.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6166 1.2152 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2136 1.0507 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4982 -0.0558 0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7162 -1.2038 1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5849 -2.2534 1.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9847 -3.1514 2.2418 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9164 -2.7184 1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5442 -3.4824 2.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8811 -3.7635 2.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4513 -4.5066 3.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7153 -3.3071 1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1804 -2.5773 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8184 -2.3182 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -1.6101 -0.8974 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 0.3099 0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7618 1.4778 0.0538 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9003 -0.4529 1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 -1.2817 -0.0036 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0205 -1.9479 0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9589 -2.3344 -0.4624 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7235 -0.5299 -1.2016 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8441 -0.0117 -1.9066 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 -1.1665 -2.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5142 -1.5625 -1.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 -0.3776 -1.4248 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4930 0.5437 -2.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 -0.9787 -0.9235 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4558 -1.8156 -1.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6123 -2.2233 -0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7518 -1.1044 0.0207 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5686 -1.7032 1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1319 -0.5783 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1572 -1.4289 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5312 -0.9663 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7524 0.4553 -0.3602 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1441 0.8725 0.0004 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.8058 1.6505 -1.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0458 -0.3261 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1881 1.6867 1.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1646 2.4185 1.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1132 1.6247 2.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7306 1.5611 1.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7008 1.3841 0.1731 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8666 2.7355 -0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3648 0.8344 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4149 1.6066 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0983 1.0846 -1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6811 -0.1013 -0.2779 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0658 0.4149 1.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2251 1.5817 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1151 0.2393 0.7124 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0463 0.1781 -1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8296 1.7054 -2.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3966 0.6977 -2.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 2.8632 -1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9845 4.6695 -0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7468 3.6605 1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4639 4.1567 1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 3.6697 0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1121 1.1669 2.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3066 2.5124 3.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5700 0.9046 3.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 0.1789 1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 0.7742 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7223 2.3801 -0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 2.0344 0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7319 1.1545 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6119 -1.5885 1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 -3.8511 2.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9251 -4.8930 4.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7810 -3.5217 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7894 -2.2011 -0.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2967 -1.4567 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1034 0.3249 1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0511 -1.0308 1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3146 -2.0447 1.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0942 -3.0334 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9282 -1.3994 0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0206 -3.0477 0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2329 0.4376 -0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3877 -0.7575 -2.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 -0.6133 -3.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3822 -2.1537 -2.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5956 -2.4167 -1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0109 -1.8979 -2.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 0.1910 -0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1801 0.2040 -3.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5043 0.6451 -3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7665 1.5938 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3359 -1.6953 -0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9057 -2.6982 -2.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8987 -1.2177 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5065 -2.3333 -1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3755 -3.1961 -0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5373 -2.0773 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8491 -0.9237 2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2792 -2.5589 1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9096 -2.4741 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0376 -1.2667 0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0520 -1.6308 -0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6860 0.5481 -1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2446 2.6040 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0855 1.8002 -1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6552 1.0951 -1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9801 -1.1007 -0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1266 0.0211 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9524 -0.7127 1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2096 2.5454 2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2515 0.7835 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1845 2.5024 1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1668 0.7501 2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2746 3.4672 0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5474 2.8047 -1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9296 3.0906 -0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6777 2.6624 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0665 0.9547 -2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3798 1.9220 -0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4039 1.2714 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8718 0.8167 1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 -0.3455 1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2930 1.7977 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9564 2.1681 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 0.0748 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 11 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 26 28 1 6 26 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 1 38 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 6 44 46 1 0 44 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 6 51 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 1 2 58 1 0 58 59 1 0 21 15 1 0 56 35 1 0 56 38 1 0 53 40 1 0 51 43 1 0 1 60 1 0 1 61 1 0 1 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 7 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 12 76 1 0 16 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 22 81 1 0 25 82 1 0 25 83 1 0 27 84 1 0 27 85 1 0 27 86 1 0 28 87 1 0 29 88 1 1 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 1 34 95 1 0 34 96 1 0 34 97 1 0 35 98 1 1 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 39103 1 0 39104 1 0 39105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 6 45110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 46115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 52120 1 0 52121 1 0 52122 1 0 54123 1 0 55124 1 0 55125 1 0 57126 1 0 57127 1 0 57128 1 0 58129 1 0 58130 1 0 59131 1 0 M END