RDKit 3D 96102 0 0 0 0 0 0 0 0999 V2000 9.8419 -2.4603 0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9172 -2.3751 -0.4756 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8205 -1.8262 -1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7024 -1.3782 -0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6091 -0.8329 -1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6431 -0.7341 -2.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7585 -1.1789 -3.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8440 -1.7227 -2.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9547 -2.1645 -3.2129 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -0.1462 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8013 0.9247 -2.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8852 0.8446 -0.9928 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1273 2.0597 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3914 -0.3418 -0.4094 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3671 -1.4330 -0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1929 -0.8323 0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1104 -0.8023 1.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 -0.2390 2.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9577 0.3043 1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1544 0.8695 2.3521 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 1.4104 1.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3043 0.6831 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3589 1.2787 0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3018 2.6077 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 3.3553 0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1391 4.7317 0.3495 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2105 5.3219 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1878 2.7448 1.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1074 3.5213 1.7307 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0406 4.2023 2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4186 0.4474 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5206 1.0092 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7232 2.3686 -0.8062 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5385 2.9513 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5609 0.1762 -1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6715 0.7562 -1.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7417 0.9828 -3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5132 -1.1789 -0.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5343 -2.0210 -1.3678 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6200 -2.4015 -0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3841 -1.7049 -0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3236 -0.9409 0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 -1.5400 0.6549 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3954 -0.7319 1.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3337 -2.8857 1.1817 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0484 -3.5090 1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0044 -3.7009 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3367 -3.1715 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0377 0.2757 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 -0.2864 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8759 -1.4667 1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9061 -2.9530 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6876 -3.0467 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6865 -1.4607 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7235 -1.0740 -4.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7427 -2.5576 -2.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8504 0.3096 -4.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 -0.9493 -3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7113 0.9219 -2.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1481 1.9529 -2.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3752 2.8210 -0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8377 1.8981 0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 2.4616 -0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7272 -0.0636 0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8031 -2.2032 0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -1.8369 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 -1.2214 2.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9513 -0.2221 3.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0095 3.1254 -0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1866 4.9398 -1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1946 5.1028 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1394 6.4328 -0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 4.8894 2.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 4.8227 3.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 3.5395 3.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5106 2.4396 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6292 4.0278 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0555 2.6270 1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7210 0.5523 -3.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7532 2.0460 -3.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9322 0.4105 -3.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5178 -1.7611 -0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2871 -2.3850 0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8875 -3.4552 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4345 -1.7157 -0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -0.8246 2.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3531 -1.0916 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8647 -3.6387 2.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 -2.9487 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0035 -4.5293 1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1218 -4.7144 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3594 -3.8190 -0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6067 -3.5938 -1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1580 -3.4889 0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2377 0.6925 -0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 -0.2794 -1.3267 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 4 5 1 0 5 6 2 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 2 0 22 44 1 0 44 43 1 0 43 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 41 1 0 41 42 2 0 42 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 32 35 1 0 35 36 1 0 36 37 1 0 35 38 2 0 38 39 1 0 39 40 1 0 31 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 2 0 28 29 1 0 29 30 1 0 19 49 1 0 49 50 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 3 1 0 14 5 1 0 50 16 1 0 28 21 1 0 23 22 1 0 42 43 1 0 38 41 1 0 1 51 1 0 1 52 1 0 1 53 1 0 4 54 1 0 10 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 13 61 1 0 13 62 1 0 13 63 1 0 14 64 1 1 15 65 1 0 15 66 1 0 17 67 1 0 18 68 1 0 44 86 1 0 44 87 1 0 43 85 1 6 46 88 1 0 46 89 1 0 46 90 1 0 47 91 1 0 47 92 1 0 48 93 1 0 48 94 1 0 34 76 1 0 34 77 1 0 34 78 1 0 37 79 1 0 37 80 1 0 37 81 1 0 40 82 1 0 40 83 1 0 40 84 1 0 24 69 1 0 27 70 1 0 27 71 1 0 27 72 1 0 30 73 1 0 30 74 1 0 30 75 1 0 49 95 1 0 50 96 1 0 7 55 1 0 9 56 1 0 M END