RDKit 3D 113118 0 0 0 0 0 0 0 0999 V2000 12.7586 1.8622 -1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7732 2.0155 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6218 0.7077 0.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1241 -0.3947 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7869 -0.1039 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6894 0.1050 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4770 -1.1024 1.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3641 -0.8368 2.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0468 -0.5296 1.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6102 -1.6935 0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2913 -1.3879 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 -1.1296 0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8718 -0.8328 0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4185 -1.9838 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 -1.7053 -1.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 -1.4520 -0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0171 -1.4282 0.8385 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2445 -1.2066 -0.9787 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 -0.9470 -0.2489 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6935 -2.1244 0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9636 -2.8461 0.4576 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7848 -4.2367 0.4253 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4665 -4.8988 1.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7796 -2.4980 -0.7473 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5344 -1.1881 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6874 -0.0771 -0.9267 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4418 -0.7225 -1.3706 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8759 -2.1079 -1.8680 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7382 -2.9140 -1.8998 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3193 -3.5034 -3.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1155 -4.3713 -3.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9768 -3.3086 -4.1243 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5526 1.0450 0.0570 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8813 1.6247 0.2905 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9470 0.7950 0.4892 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9826 1.0214 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9088 2.6556 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0157 3.7964 0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6911 3.3397 0.4961 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8524 4.4397 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 5.5868 0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 6.5294 0.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0107 2.7992 1.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4125 1.6634 2.1509 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7323 0.5948 1.2107 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3923 0.3162 0.5248 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2787 1.5478 -0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6602 2.1564 -0.4624 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2042 1.6097 -2.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3008 2.8251 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4853 1.0444 -0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1826 2.7504 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8148 2.3445 -0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 0.4252 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0248 0.8321 1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8552 -0.4699 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1632 -1.3389 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8457 0.7124 -1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5091 -1.0199 -1.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7549 0.2745 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8474 0.9775 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2574 -2.0039 0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4226 -1.3009 1.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2199 -1.6925 2.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6364 0.0872 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2899 -0.3506 2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1007 0.4140 0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3763 -1.8993 -0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4762 -2.6063 1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4864 -0.4976 -0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0784 -2.2274 -0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4561 -0.1856 1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1147 -1.9892 1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 0.0395 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 -0.4852 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 -2.0769 -1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 -2.9534 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1947 -2.5021 -1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 -0.7943 -1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 -1.7826 1.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8559 -2.8869 0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6531 -2.6734 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2545 -5.9788 1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5786 -4.7835 1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1779 -4.6310 2.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4644 -3.3162 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4844 -1.3104 -1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7626 -1.2130 0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1883 0.3531 -1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -0.2258 -2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3758 -2.0095 -2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3139 -5.2911 -3.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7331 -4.6585 -2.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3318 -3.8094 -3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1341 2.2473 -0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5385 0.8322 -1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2871 2.0855 -0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8078 0.3248 -0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9536 3.0678 1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6956 2.2753 2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5756 4.4750 0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8235 4.3385 1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3088 4.7254 -1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 4.0724 -0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5915 6.3626 1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8903 7.1110 -0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1625 7.3711 1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2513 3.3480 2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1104 -0.2446 1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 0.3164 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9602 1.3052 -1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5178 2.2463 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9112 2.4494 -1.4886 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 2 0 16 18 1 0 19 18 1 6 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 2 0 26 33 1 0 33 48 1 0 48 47 1 0 47 46 1 0 46 45 1 0 45 44 1 0 44 43 2 0 43 39 1 0 39 40 1 6 40 41 1 0 41 42 1 0 39 38 1 0 38 37 1 0 37 34 1 0 34 35 1 0 35 36 1 0 27 19 1 0 45 33 1 0 46 19 1 0 28 24 1 0 33 34 1 1 39 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 6 61 1 0 7 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 20 80 1 0 20 81 1 0 21 82 1 1 23 83 1 0 23 84 1 0 23 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 26 89 1 6 27 90 1 6 28 91 1 6 31 92 1 0 31 93 1 0 31 94 1 0 48113 1 6 47111 1 0 47112 1 0 46110 1 1 45109 1 1 43108 1 0 40103 1 0 40104 1 0 42105 1 0 42106 1 0 42107 1 0 38101 1 0 38102 1 0 37 99 1 0 37100 1 0 34 95 1 6 36 96 1 0 36 97 1 0 36 98 1 0 M END