RDKit 3D 90 94 0 0 0 0 0 0 0 0999 V2000 9.9299 1.3415 -2.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8967 1.0869 -1.8783 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6797 0.6508 -0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4372 0.4009 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2094 -0.0373 1.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8610 -0.2737 1.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5364 -0.6556 2.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.8654 3.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7992 -1.2192 4.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1267 -0.6644 2.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7518 -0.8189 2.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9787 -0.5379 1.3047 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2131 0.7353 0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3004 -1.6180 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2805 -2.5715 0.4563 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1079 -1.7897 0.5827 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8545 -1.2953 -0.6748 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -1.7528 -1.2231 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2012 -0.5166 -1.4779 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7321 -0.0012 -0.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0728 0.1931 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0733 -0.0736 -0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4311 0.1474 -0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8144 0.6380 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2273 0.8826 0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2360 0.6652 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6257 0.8421 0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3490 0.5006 -0.7511 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4111 1.3044 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9242 1.7158 2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7733 2.1558 3.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1200 2.1793 3.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9952 2.6087 4.4463 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6143 1.7674 2.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8066 1.3406 1.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3531 0.9459 0.0408 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8022 0.9129 1.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4818 0.7046 1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4511 0.4209 -2.2071 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.0852 -3.4345 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7766 0.7442 -4.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4196 0.2856 -5.7716 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4296 -1.5052 -3.6582 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3490 -1.9709 -4.7459 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2113 -2.4458 -2.5349 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9269 -3.2333 -2.6601 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 -0.7838 1.6084 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8277 0.4035 1.3507 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3186 -0.2209 2.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5983 0.0251 1.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7969 0.4582 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0552 0.7098 -0.2822 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8316 0.4236 -3.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2937 2.1717 -3.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9812 1.6087 -2.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5563 0.5403 -0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -0.1228 1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3219 -0.8147 3.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 -0.1357 3.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4555 -1.8416 2.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 1.2847 1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3522 -1.2292 -0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2618 -2.1325 0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3261 -2.4885 0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8285 -2.4024 -0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9987 -0.8344 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8718 -0.4654 -1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1692 -0.0879 -1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3869 1.2623 1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9462 0.2548 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9079 1.7342 2.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3627 2.4799 4.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2698 3.5778 4.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7030 1.8016 2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3377 0.9519 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1289 1.3095 2.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7237 0.9282 1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 0.0778 -3.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 1.7916 -4.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8695 0.5634 -4.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -0.4956 -5.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4971 -1.5156 -4.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1439 -2.9198 -4.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -3.1870 -2.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8823 -3.9125 -1.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3593 -1.1331 2.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1928 0.7818 0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2222 -0.5650 3.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4721 -0.1184 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1315 1.0271 -1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 51 2 0 51 52 1 0 51 50 1 0 50 49 2 0 49 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 6 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 29 1 0 29 35 2 0 35 36 1 0 35 34 1 0 34 32 2 0 32 33 1 0 32 31 1 0 31 30 2 0 24 37 1 0 37 38 2 0 19 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 40 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 16 47 1 0 47 48 1 0 5 4 2 0 4 3 1 0 47 12 1 0 45 18 1 0 38 21 1 0 30 29 1 0 1 53 1 0 1 54 1 0 1 55 1 0 52 90 1 0 50 89 1 0 49 88 1 0 6 57 1 0 7 58 1 0 11 59 1 0 11 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 16 64 1 1 18 65 1 1 19 66 1 6 22 67 1 0 23 68 1 0 25 69 1 0 26 70 1 0 36 75 1 0 34 74 1 0 33 73 1 0 31 72 1 0 30 71 1 0 37 76 1 0 38 77 1 0 40 78 1 6 41 79 1 0 41 80 1 0 42 81 1 0 43 82 1 6 44 83 1 0 45 84 1 1 46 85 1 0 47 86 1 1 48 87 1 0 4 56 1 0 M END