RDKit 3D 89 90 0 0 0 0 0 0 0 0999 V2000 8.9056 2.5896 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0871 1.7225 0.6308 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3796 2.5349 0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2484 0.6295 1.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0685 -0.2835 1.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8269 -0.9333 0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 -1.8804 0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3965 -2.5288 -0.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2534 -3.4700 -0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9147 -2.9375 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 -1.8422 -1.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0398 -1.3698 -1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 -0.8489 0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5135 -0.3884 0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5452 -1.4556 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -1.4477 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7721 -0.4103 -1.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.6355 -1.2541 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 -0.4750 -2.0479 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 0.5651 -2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2766 1.2661 -2.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3618 1.0948 -1.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5379 1.8030 -2.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6269 1.7538 -1.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6709 1.0372 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8138 1.0556 0.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0839 0.4352 1.6468 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5824 1.3809 2.5321 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7199 1.9869 2.0858 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4268 3.4663 1.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3513 1.4216 0.8609 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.7023 1.8459 0.8703 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3434 -0.0926 0.8407 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.5373 -0.5053 1.4747 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1359 -0.6574 1.5323 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5928 -1.9037 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5268 0.3565 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 0.3845 -0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2466 3.6602 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6151 2.4557 2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0385 2.4164 0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9871 1.3295 -0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3919 3.1014 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4823 3.1554 1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2165 1.7824 0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1514 0.0268 1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4209 1.1024 2.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2996 -1.0688 2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1810 0.2567 2.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6887 -1.5695 0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6765 -0.2305 -0.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8383 -2.6005 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7379 -1.2411 0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3222 -3.1550 -1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4069 -1.7812 -1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2536 -3.9375 -1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5121 -4.3340 -0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9311 -2.6185 0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1865 -3.7741 -0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -0.9598 -1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3988 -2.0537 -2.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6974 -0.5475 -1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 -2.2125 -1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 -1.6466 1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 0.0042 0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 0.5852 0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 -0.1963 1.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -2.3381 1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1276 -2.3343 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -1.3388 -2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4111 0.8360 -3.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3586 2.0867 -3.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5781 2.3949 -3.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5072 2.3324 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1569 -0.0562 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4574 1.9639 2.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5086 3.7900 2.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3598 3.6974 0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2840 4.0915 2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9478 1.8039 -0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0663 1.8892 -0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3882 -0.4368 -0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1802 -0.8501 0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4368 -0.8971 2.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9040 -1.8892 -0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5034 -2.0242 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0619 -2.8292 1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4914 -0.2241 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5056 -0.1519 -0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 25 37 1 0 37 38 2 0 38 22 1 0 35 27 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 6 3 43 1 0 3 44 1 0 3 45 1 0 4 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 7 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 9 57 1 0 10 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 16 69 1 0 19 70 1 0 20 71 1 0 21 72 1 0 23 73 1 0 24 74 1 0 27 75 1 1 29 76 1 1 30 77 1 0 30 78 1 0 30 79 1 0 31 80 1 6 32 81 1 0 33 82 1 6 34 83 1 0 35 84 1 1 36 85 1 0 36 86 1 0 36 87 1 0 37 88 1 0 38 89 1 0 M END