RDKit 3D 107112 0 0 0 0 0 0 0 0999 V2000 3.7666 3.0033 -2.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8505 3.0243 -1.6995 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 2.2248 -1.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9349 1.5292 -3.0246 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1173 2.2520 -1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2442 1.3476 -1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 -0.1198 -1.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3397 -0.5794 -0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0137 -2.0369 -0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0217 -2.4896 -1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -2.0102 -1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7021 -2.2714 0.0064 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4174 -1.7233 -0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6911 -1.8956 0.8280 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5775 -1.7964 1.9112 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 -1.6453 1.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8212 -1.0914 1.8774 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6978 -0.7551 0.9225 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2273 0.2608 1.7103 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6109 -1.2277 1.5444 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2578 -0.2501 2.1769 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 0.0891 1.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8518 0.7044 0.6521 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0909 1.9505 0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3493 2.5914 -0.8683 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9799 4.0460 -0.9820 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9482 4.7741 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 4.6046 -1.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 3.4701 -2.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8722 2.7190 -0.9580 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5123 1.3614 -0.8742 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8961 1.4318 -1.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5241 2.5289 -1.5432 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5832 0.2847 -1.7003 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6901 0.3268 -1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8609 -0.2881 -0.4755 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8449 -1.2803 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7123 -0.5276 0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7855 -1.0440 1.6455 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7664 -2.5647 1.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1790 -0.6499 1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3897 0.9259 0.5585 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9811 1.7890 1.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8083 2.6968 1.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7902 1.7947 2.9077 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1574 -2.1298 2.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 -3.3617 1.9101 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2997 -4.4529 2.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9907 -3.2323 0.7820 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3870 -3.4300 -0.4565 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8908 -4.5600 -1.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 3.2198 -3.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 2.0360 -2.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0726 3.8220 -2.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4936 3.3125 -1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7719 2.0935 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6190 1.6476 -2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0767 1.5471 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8170 -0.6844 -1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1237 -0.2649 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5253 0.0620 0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1893 -0.4243 0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0320 -2.5367 -0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8631 -2.3976 0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4476 -2.3388 -2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 -3.6362 -1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1644 -2.4435 -2.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6632 -0.8982 -1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 -3.3720 0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4689 -0.3469 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1638 1.1606 1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 -1.8280 0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2516 -0.7885 2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8145 0.7879 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0153 1.7170 0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3415 2.6535 1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8844 2.0908 -1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9824 4.1404 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8308 4.6339 0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0256 4.4317 0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7484 5.8451 0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5251 5.4256 -1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5229 4.9586 -2.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9611 3.9902 -2.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6696 2.8854 -3.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1654 3.3312 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2435 -0.6119 -1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0955 0.7023 -2.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 -0.4099 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9313 -0.6753 -0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8183 -2.3591 -0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6315 -0.6934 2.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4089 -2.9498 0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3094 -2.8537 2.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7636 -2.9860 1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2973 0.3981 0.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8147 -0.7944 2.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5902 -1.3614 0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6656 2.6390 3.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 -3.5673 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4151 -4.0307 3.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2647 -4.9122 2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5159 -5.2034 2.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7508 -4.0170 0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7214 -5.4819 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9706 -4.3652 -1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 -4.6171 -2.0946 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 2 0 14 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 23 22 1 1 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 6 32 33 2 0 32 34 1 0 31 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 38 42 1 0 42 43 1 1 43 44 2 0 43 45 1 0 20 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 16 12 1 0 36 23 1 0 49 14 1 0 42 23 1 0 30 25 1 0 42 31 1 0 1 52 1 0 1 53 1 0 1 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 1 18 70 1 6 19 71 1 0 20 72 1 6 22 73 1 0 22 74 1 0 24 75 1 0 24 76 1 0 25 77 1 6 26 78 1 6 27 79 1 0 27 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 29 85 1 0 30 86 1 1 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 6 37 91 1 0 39 92 1 1 40 93 1 0 40 94 1 0 40 95 1 0 41 96 1 0 41 97 1 0 41 98 1 0 45 99 1 0 47100 1 6 48101 1 0 48102 1 0 48103 1 0 49104 1 1 51105 1 0 51106 1 0 51107 1 0 M END