RDKit 3D 97104 0 0 0 0 0 0 0 0999 V2000 -9.2583 1.2876 -1.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1638 1.7682 -0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1585 3.0195 -0.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1345 1.0246 -0.3377 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1264 1.5815 0.4613 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8204 1.6454 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8881 0.6997 -0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2288 -0.3319 0.8742 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0959 -1.2179 1.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8345 -1.0438 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0359 -0.6243 -0.9170 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1702 -1.4861 -1.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6062 0.7780 -0.8520 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8280 1.6394 -0.0715 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9516 1.3381 -2.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 0.9899 -3.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 0.6708 -2.5740 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6033 0.4136 -3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3724 -0.0662 -2.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 -0.6541 -1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2076 -1.0362 -0.0552 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4753 -0.7057 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6086 -0.8675 0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8226 -0.4171 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 0.1901 -1.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8586 0.3618 -1.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6258 -0.0981 -1.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3863 0.5353 -1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1056 -0.4117 -0.3914 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1381 -0.4472 0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5842 -0.4736 1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0461 -0.4660 2.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1777 0.3503 3.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6206 -1.8126 2.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7115 0.2903 1.3079 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4634 -0.0247 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8561 1.2141 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4345 -1.1115 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 -0.6231 -1.7489 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8440 -1.7716 -2.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7652 0.3032 1.9791 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9396 0.9824 1.8048 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1376 0.2269 2.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4117 -1.0724 1.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3836 1.0772 2.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9445 -0.0184 3.7329 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0734 1.6282 -2.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1888 1.8612 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4345 0.2075 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3819 2.6812 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6374 2.4240 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0782 -0.9337 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4626 -2.2683 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -1.0006 2.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -2.0817 0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 -0.3219 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9367 -2.0001 -2.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4953 -2.2734 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0825 -0.8907 -1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0054 1.5836 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9107 0.9546 -2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9547 2.4236 -2.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2987 0.2241 -3.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7215 1.8942 -3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4321 1.5230 -1.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 1.3694 -3.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6265 -0.2874 -4.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 -1.4999 0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -1.3503 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 0.8251 -2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6637 0.3126 -2.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6137 1.5648 -1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0939 -1.4065 -0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8889 -0.5026 2.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2280 0.5369 3.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5871 -0.0950 4.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7162 1.3584 3.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1600 -2.6323 1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5356 -2.1327 3.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7315 -1.7467 2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4818 1.0246 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4567 2.1370 -0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9786 1.2505 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4690 -0.8426 -0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1234 -2.1099 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3630 -1.0707 -1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2129 -1.9970 -3.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0862 -2.7450 -2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4118 -1.5672 -3.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8452 1.8579 2.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4620 -1.0735 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6787 -1.8513 2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4040 -1.4883 2.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8274 1.1467 3.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1406 0.6232 1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1329 2.1312 1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1399 -0.9803 3.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 6 11 39 1 0 39 40 1 6 39 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 27 2 0 27 26 1 0 26 25 2 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 30 24 1 0 24 23 2 0 17 16 1 0 16 15 1 0 15 13 1 0 13 14 1 1 8 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 43 46 1 0 42 5 1 0 13 7 1 0 13 11 1 0 20 39 1 0 23 22 1 0 27 19 1 0 24 25 1 0 36 29 1 0 1 47 1 0 1 48 1 0 1 49 1 0 5 50 1 1 6 51 1 0 8 52 1 6 9 53 1 0 9 54 1 0 10 55 1 0 10 56 1 0 12 57 1 0 12 58 1 0 12 59 1 0 40 87 1 0 40 88 1 0 40 89 1 0 17 65 1 1 18 66 1 0 18 67 1 0 21 68 1 0 26 70 1 0 28 71 1 0 28 72 1 0 29 73 1 6 31 74 1 0 33 75 1 0 33 76 1 0 33 77 1 0 34 78 1 0 34 79 1 0 34 80 1 0 37 81 1 0 37 82 1 0 37 83 1 0 38 84 1 0 38 85 1 0 38 86 1 0 23 69 1 0 16 63 1 0 16 64 1 0 15 61 1 0 15 62 1 0 14 60 1 0 42 90 1 1 44 91 1 0 44 92 1 0 44 93 1 0 45 94 1 0 45 95 1 0 45 96 1 0 46 97 1 0 M END