RDKit 3D 111114 0 0 0 0 0 0 0 0999 V2000 -0.6210 1.5057 -3.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2553 1.5529 -2.2488 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8457 0.6760 -1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6841 -0.1100 -1.7986 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 0.6814 0.0983 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2605 -0.3854 0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6447 -1.5683 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7874 -2.1942 -0.5739 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -2.0597 -0.0539 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0617 -3.4621 -0.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2494 -4.3477 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5115 -3.4826 -2.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6966 -2.2085 1.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 -1.1408 1.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5463 -0.4827 2.6179 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8027 -0.8589 0.7024 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0977 -1.3768 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0199 0.6368 0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9621 1.1971 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0819 2.6716 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3753 3.5142 0.4057 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9006 4.8452 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2063 2.8679 1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0501 2.6205 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1015 2.9162 -0.9578 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 2.0078 0.7633 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2544 3.0175 0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3728 2.7206 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 3.8461 -0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7549 1.4631 -0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8752 1.2193 -1.3318 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6723 0.0781 -2.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1473 -0.2438 -2.6017 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3019 -1.6325 -3.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6959 0.7370 -3.3891 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6719 -0.1231 -1.1631 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1460 -0.1890 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5588 -1.3155 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7644 -1.2874 1.1420 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6983 -1.3265 2.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8308 -2.4388 1.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9878 -3.3805 0.5082 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4740 2.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 -1.9008 1.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -0.5279 2.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9861 -0.0507 3.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3044 0.2899 1.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 0.4099 0.2957 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0844 1.0166 -0.6853 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2127 2.4241 -3.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 1.3693 -4.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3524 0.6614 -3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 0.0166 1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6878 -0.7113 1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7186 -1.4292 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1318 -3.7866 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8134 -3.7916 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -4.8497 -0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9075 -5.1488 0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4407 -3.8272 -2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 -2.5408 -2.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0696 -4.2886 -2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2745 -3.1762 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9232 -2.2998 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7016 -1.2989 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1563 -2.4850 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0618 -1.1405 2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9886 -0.9054 0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0413 0.8312 0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9949 1.1685 1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0671 0.6375 -1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9735 0.9384 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6852 2.9673 -1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1585 3.0136 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1062 3.7592 1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 5.7118 0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8021 4.9664 -0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1775 4.9252 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8509 3.6215 1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4921 1.9895 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0169 1.7500 1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1325 4.0454 0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 3.2284 1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8846 3.8598 -1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7445 4.7808 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1826 3.6802 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 2.1301 -1.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1414 0.3715 -3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2784 -0.8423 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3493 -1.9606 -2.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1737 -1.6431 -4.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 -2.2983 -2.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8931 1.5296 -2.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 -0.9856 -0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5897 0.7495 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 -0.3606 -2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6430 -1.1715 0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4517 -2.3054 -0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 -0.3201 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2867 -1.9533 3.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6948 -1.7166 2.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8006 -0.2984 2.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1238 -1.9861 3.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -3.5601 2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4397 -1.9448 0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6253 -2.6062 2.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5674 0.9018 3.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 -0.8028 4.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0309 0.1495 3.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7484 0.9377 2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1414 -0.6036 -0.1675 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 5 3 1 6 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 6 33 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 2 0 47 48 1 0 36 49 1 0 9 10 1 0 10 11 1 0 10 12 1 0 26 5 1 0 48 30 1 0 48 5 1 0 49 31 1 0 1 50 1 0 1 51 1 0 1 52 1 0 6 53 1 0 6 54 1 0 9 55 1 6 13 63 1 0 13 64 1 0 16 65 1 6 17 66 1 0 17 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 21 75 1 1 22 76 1 0 22 77 1 0 22 78 1 0 23 79 1 0 23 80 1 0 26 81 1 1 27 82 1 0 27 83 1 0 29 84 1 0 29 85 1 0 29 86 1 0 31 87 1 6 32 88 1 0 32 89 1 0 34 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 36 94 1 1 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 1 40100 1 0 40101 1 0 40102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 46107 1 0 46108 1 0 46109 1 0 47110 1 0 48111 1 6 10 56 1 0 11 57 1 0 11 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 12 62 1 0 M END