RDKit 3D 169171 0 0 0 0 0 0 0 0999 V2000 14.5806 0.8710 1.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1747 1.3014 1.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7227 0.2627 3.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3777 0.5535 3.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3238 0.5640 2.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2565 -0.7331 1.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2570 -0.8958 0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8108 -0.9032 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0863 0.2702 1.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6147 0.1858 1.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 0.2492 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 -0.6361 -0.8085 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7116 -0.5310 -1.6037 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6756 -0.4432 -2.3918 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4844 -0.7246 -3.7836 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 -1.0029 -4.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8748 -0.2355 -3.8244 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7846 -0.0779 -4.8988 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 1.0954 -3.3397 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4289 1.8412 -2.7436 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2913 0.9727 -2.3519 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2891 1.9244 -2.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3275 -0.8957 -1.3233 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4274 -2.0335 -2.0951 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6575 0.1944 -1.9507 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5911 1.3811 -1.1613 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2699 0.0085 -2.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1686 -0.3481 -1.5093 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2827 -1.6615 -0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 -2.4368 -0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7068 -2.2876 -2.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4756 -3.3025 0.0545 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -2.9949 1.4070 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1256 -4.2148 2.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9014 -5.3286 1.9348 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 -2.6641 1.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9052 -2.6375 3.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1556 -2.3843 1.3854 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2744 -3.1254 0.8781 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1864 -4.5960 0.7941 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2326 -5.0548 -0.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5131 -5.2545 0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2397 -5.7072 1.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4718 -6.2750 1.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9426 -6.3730 0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1862 -6.9428 -0.1061 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2347 -5.9285 -0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9810 -5.3547 -0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7249 -2.5157 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9831 -2.7504 -1.4334 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8717 -1.7403 -0.5979 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1627 -1.9287 0.0202 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2225 -1.4927 -0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1716 -2.3187 -2.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8915 -2.1864 -2.8568 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2935 -1.2170 1.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5941 -1.9136 2.3603 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1134 0.1724 1.5034 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7895 1.2279 0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8506 2.4014 1.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9413 2.6462 2.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7453 3.2446 1.9395 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 3.8302 0.8875 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4321 5.2075 0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3955 6.0578 1.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9418 7.3892 1.7937 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9453 5.7434 3.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4862 3.7068 1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2139 2.7699 2.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3743 4.4501 0.8223 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0619 4.9814 -0.4470 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7198 6.4784 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7992 7.1417 0.3707 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9747 4.4305 -1.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2909 5.4022 -1.8318 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 3.1798 -1.5558 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8055 2.1273 -0.8582 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8456 2.1378 0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2454 3.3052 1.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5965 4.2900 0.5174 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3497 3.3668 2.5415 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 0.7694 -1.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2907 0.3601 -1.2331 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1465 -0.0683 -2.0626 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9090 1.5655 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2768 0.9017 2.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5303 -0.1731 1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2797 2.2901 2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5316 1.2992 1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7906 -0.7565 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4462 0.3610 3.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1045 -0.2825 4.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3757 1.5214 4.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6011 1.3467 1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3841 0.8960 2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3116 -0.9543 1.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1581 -1.5931 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4476 -0.1222 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5084 -1.8868 0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6912 -1.7337 1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3249 -1.4484 0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4797 1.2055 1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4223 0.3629 2.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4189 -0.8407 2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2436 0.8693 2.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 -0.0152 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4903 1.3216 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9412 -1.6613 -0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -1.1345 -2.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9006 -2.0956 -4.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6577 -0.9720 -5.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 -0.8300 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5782 0.4328 -4.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0214 1.6628 -4.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2156 2.7900 -2.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 1.1123 -1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7894 1.7460 -3.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 -1.1966 -0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5829 -2.8278 -1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2519 0.5018 -2.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1402 2.0425 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 -0.7209 -3.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 0.9528 -2.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3098 0.4235 -0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0171 -2.3563 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 -1.5547 0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7238 -4.2786 -0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9019 -2.1797 1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0457 -4.3744 2.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 -3.9966 3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5591 -5.7642 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 -1.3006 1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1704 -2.9170 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8898 -4.9388 1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1045 -6.0521 0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8299 -5.6083 2.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0442 -6.6344 2.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9605 -6.2741 -0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5991 -5.9987 -1.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4358 -5.0217 -1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7916 -0.9000 -1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3839 -3.0082 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2054 -1.5243 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0767 -0.4349 -1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3037 -3.4019 -1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0112 -1.9753 -2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4929 -3.0499 -3.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7608 -1.3416 -3.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4155 0.4543 2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8204 0.9756 0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2407 1.4759 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4757 3.4960 2.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0969 3.2828 -0.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5397 5.0623 0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0726 5.7195 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6281 7.9299 0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5953 7.7890 2.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6615 4.6586 1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9779 4.9716 -1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 6.5516 0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 6.9107 -1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5436 7.6520 1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 2.8700 -2.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6668 2.2310 -1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2962 1.2341 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9055 1.9542 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6982 5.2862 0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 4.0882 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4634 -0.4450 -3.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 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 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 12 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 33 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 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 2 0 39 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 52 56 1 0 56 57 2 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 60 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 65 67 2 0 63 68 1 0 68 69 2 0 68 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 71 74 1 0 74 75 2 0 74 76 1 0 76 77 1 0 77 78 1 0 78 79 1 0 79 80 1 0 79 81 2 0 77 82 1 0 82 83 2 0 82 84 1 0 21 14 1 0 84 28 1 0 48 42 1 0 1 85 1 0 1 86 1 0 1 87 1 0 2 88 1 0 2 89 1 0 3 90 1 0 3 91 1 0 4 92 1 0 4 93 1 0 5 94 1 0 5 95 1 0 6 96 1 0 6 97 1 0 7 98 1 0 7 99 1 0 8100 1 0 8101 1 0 9102 1 0 9103 1 0 10104 1 0 10105 1 0 11106 1 0 11107 1 0 12108 1 1 14109 1 1 16110 1 0 16111 1 0 17112 1 1 18113 1 0 19114 1 6 20115 1 0 21116 1 1 22117 1 0 23118 1 1 24119 1 0 25120 1 6 26121 1 0 27122 1 0 27123 1 0 28124 1 1 29125 1 0 29126 1 0 32127 1 0 33128 1 1 34129 1 0 34130 1 0 35131 1 0 38132 1 0 39133 1 1 40134 1 1 41135 1 0 43136 1 0 44137 1 0 46138 1 0 47139 1 0 48140 1 0 51141 1 0 52142 1 1 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 58149 1 0 59150 1 0 59151 1 0 62152 1 0 63153 1 6 64154 1 0 64155 1 0 66156 1 0 66157 1 0 70158 1 0 71159 1 6 72160 1 0 72161 1 0 73162 1 0 76163 1 0 77164 1 1 78165 1 0 78166 1 0 80167 1 0 80168 1 0 84169 1 0 M END