RDKit 3D 110113 0 0 0 0 0 0 0 0999 V2000 -4.6469 6.9534 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0331 6.0804 -0.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3015 5.1865 -1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9968 4.1017 -1.5353 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8671 5.3445 -1.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 4.2321 -0.2963 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4844 3.0399 -0.8292 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8601 1.8965 -0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 1.1947 -1.8831 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 1.0824 0.5725 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4981 1.8901 1.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8819 0.9443 2.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6618 2.8005 1.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0188 0.2036 0.8407 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 -1.0625 0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6449 -1.5757 1.0973 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8614 -2.0335 0.2484 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3821 -1.9531 -1.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1295 -3.2999 -1.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8491 -4.0180 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -3.4346 0.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3317 -4.0803 0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3097 -4.8503 1.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 -4.0694 -0.1083 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1054 -5.3009 -1.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 -6.5638 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 -5.0596 -1.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9998 -4.2153 0.8279 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 -3.9419 1.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5154 -4.6260 2.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0073 -2.9062 0.7982 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0961 -3.7317 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 -2.8047 -0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4666 -4.4646 -1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3636 -1.9816 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 -0.8781 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1604 -0.7280 -1.4118 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6229 0.4088 0.1334 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7282 0.2278 1.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2231 1.5925 1.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 2.2794 2.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1317 3.5287 3.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 4.1126 2.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 3.4341 1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 2.1849 0.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6132 1.2759 0.6443 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 2.2346 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0011 2.8853 1.0156 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0249 2.8315 -1.1653 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4331 3.1316 -1.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4199 4.5126 -2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9311 4.5303 -2.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3174 4.0643 -1.3593 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 4.6687 -0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3679 5.7669 0.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9493 3.8853 -1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5293 5.2002 -2.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 6.3351 -0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 4.3933 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0568 1.2163 -2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0167 0.4385 0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6262 2.4644 2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7103 1.3526 3.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1092 -0.0220 2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9964 0.7970 3.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2374 2.5401 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3754 2.7295 2.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4138 3.8749 1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 -2.0559 1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7967 -1.9136 0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6392 -1.9457 -1.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1774 -1.2073 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8591 -3.8568 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2291 -3.1597 -1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -5.0717 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5602 -3.7075 0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0728 -3.2379 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -5.3790 -1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -6.8661 -0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 -6.6018 0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 -7.3984 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9946 -5.5507 -2.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1367 -5.6429 -1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4675 -3.9983 -2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8079 -5.5817 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 -2.5042 1.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5232 -4.4173 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6753 -1.9934 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 -3.3885 -1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7272 -2.3282 0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2241 -4.8262 -1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9704 -5.3863 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6622 -3.8705 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5844 -0.6552 -2.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2045 0.8467 -0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5664 -0.2598 0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3311 -0.2598 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8538 1.8129 3.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7093 4.0695 3.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5411 5.1092 2.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5530 3.8575 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 1.6519 0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 2.4742 1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5996 2.0879 -1.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7985 2.4591 -2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0803 3.2323 -0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0663 4.5678 -3.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5985 5.3195 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 3.7809 -3.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 5.5482 -2.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 12 11 1 0 11 13 1 0 11 10 1 0 10 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 35 1 0 35 36 2 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 38 46 1 0 46 47 2 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 6 1 0 6 5 1 0 5 3 1 0 3 4 1 0 3 2 2 0 6 7 1 0 7 8 2 0 8 9 1 0 31 32 1 0 32 33 1 0 32 34 1 0 24 25 1 0 25 26 1 0 25 27 1 0 8 10 1 0 21 17 1 0 45 40 1 0 53 49 1 0 12 63 1 0 12 64 1 0 12 65 1 0 11 62 1 0 13 66 1 0 13 67 1 0 13 68 1 0 10 61 1 6 16 69 1 0 17 70 1 1 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 6 30 85 1 0 31 86 1 1 37 94 1 0 38 95 1 6 39 96 1 0 39 97 1 0 41 98 1 0 42 99 1 0 43100 1 0 44101 1 0 45102 1 0 48103 1 0 49104 1 6 50105 1 0 50106 1 0 51107 1 0 51108 1 0 52109 1 0 52110 1 0 6 59 1 1 5 57 1 0 5 58 1 0 4 56 1 0 2 1 1 0 9 60 1 0 32 87 1 0 33 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 34 93 1 0 25 78 1 0 26 79 1 0 26 80 1 0 26 81 1 0 27 82 1 0 27 83 1 0 27 84 1 0 M END