RDKit 3D 127126 0 0 0 0 0 0 0 0999 V2000 1.2119 6.7127 3.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5182 5.3769 2.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5206 5.5393 1.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7656 5.2747 2.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3755 4.7556 3.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0369 3.4736 3.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8154 2.3441 3.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 1.8750 4.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 2.7376 5.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 2.6986 5.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 1.6953 4.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8123 0.7237 5.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1186 0.5339 5.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 1.2751 4.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6161 0.8564 3.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5512 -0.2728 2.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6885 -1.3798 3.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5657 -1.5108 2.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1717 -2.4966 1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6444 -3.8171 1.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8615 -4.4404 1.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0962 -4.0445 1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -4.4329 1.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9674 -3.2777 0.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9149 -2.8572 -0.8230 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2205 -1.3934 -0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3035 -0.4506 -0.8263 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2969 0.0758 -1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0071 -0.5048 -2.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5557 1.2864 -1.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 1.4705 -1.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2402 0.3500 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1189 0.7356 -1.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1678 -0.3050 -1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5158 0.2224 -1.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5951 -0.7613 -1.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9673 -0.2652 -2.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3155 0.9964 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6874 1.5481 -1.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7759 0.5914 -1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1317 1.0706 -1.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6213 1.5563 -3.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0262 2.7862 -3.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1457 3.9694 -2.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7525 -3.2980 -2.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7853 -4.6914 -2.4064 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 -4.9335 -4.0905 P 0 0 1 0 0 5 0 0 0 0 0 0 6.8486 -4.4473 -4.8164 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4537 -6.5772 -4.4442 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3006 -4.0262 -4.7022 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6057 -4.8034 -5.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4274 -4.0784 -6.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.8947 -6.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5164 7.4888 3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6843 6.9804 2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0287 6.4894 3.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 4.7245 2.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1947 4.9200 3.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1398 5.9232 0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4357 5.4505 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 4.7281 4.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 5.4731 3.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8287 3.5262 2.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4834 1.4565 3.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 0.9339 4.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6254 1.3662 5.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4896 3.5273 6.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8425 3.3998 6.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3344 1.1943 4.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6737 2.3080 4.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2603 0.0989 6.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5358 -0.2301 6.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8662 1.5821 5.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5201 2.3341 4.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3291 1.6188 2.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 -0.4540 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 -2.3218 3.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 -1.2553 4.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9817 -0.5496 2.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2183 -2.2916 0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6895 -4.0370 0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 -4.5825 1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9517 -4.4504 3.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8032 -5.5915 1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8954 -3.4039 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8126 -1.2195 0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0955 -1.2572 -1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1681 2.1566 -1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6184 1.4067 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 1.6051 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7568 2.3969 -1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -0.6155 -1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1789 0.3533 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4585 1.7119 -1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0148 0.7387 -2.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2485 -0.4937 -0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9562 -1.2222 -2.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6975 1.2329 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 0.3283 -3.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4008 -1.6985 -2.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6358 -1.0506 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9939 -0.1285 -3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7419 -1.0216 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 1.8054 -1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2425 0.9250 -0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8357 2.4901 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5631 1.7161 -2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7086 0.3278 -0.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6258 -0.3948 -2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3667 1.8205 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8336 0.1942 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7496 1.7600 -2.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5670 0.7671 -3.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6640 3.1122 -4.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0328 2.7282 -3.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7606 3.7413 -1.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6008 4.8248 -3.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1129 4.2869 -2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4575 -2.7868 -2.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7028 -3.0315 -2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 -6.7664 -5.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 -5.6657 -5.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 -5.2222 -6.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 -4.7935 -6.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6004 -3.9182 -5.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 -2.1343 -6.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7108 -2.4903 -6.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 25 45 1 0 45 46 1 0 47 46 1 1 47 49 1 0 47 48 2 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 25 24 1 0 24 22 1 0 22 23 2 0 22 21 1 0 21 20 1 0 20 19 1 0 19 18 2 0 18 17 1 0 17 16 1 0 16 15 2 0 15 14 1 0 14 13 1 0 13 12 2 0 12 11 1 0 11 10 1 0 10 9 2 0 9 8 1 0 8 7 1 0 7 6 2 0 6 5 1 0 5 4 1 0 4 3 2 0 3 2 1 0 2 1 1 0 25 85 1 1 26 86 1 0 26 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 49121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 21 83 1 0 21 84 1 0 20 81 1 0 20 82 1 0 19 80 1 0 18 79 1 0 17 77 1 0 17 78 1 0 16 76 1 0 15 75 1 0 14 73 1 0 14 74 1 0 13 72 1 0 12 71 1 0 11 69 1 0 11 70 1 0 10 68 1 0 9 67 1 0 8 65 1 0 8 66 1 0 7 64 1 0 6 63 1 0 5 61 1 0 5 62 1 0 4 60 1 0 3 59 1 0 2 57 1 0 2 58 1 0 1 54 1 0 1 55 1 0 1 56 1 0 M END