RDKit 3D 82 85 0 0 0 0 0 0 0 0999 V2000 3.0561 2.7456 -1.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0384 1.9585 0.0679 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3849 1.9063 0.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5174 1.3341 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3784 -0.0794 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1046 -1.0887 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 -0.9763 0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3609 -1.4535 0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8196 -2.4745 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 -3.3391 0.4558 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 0.7245 -0.0092 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2937 0.0081 1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -0.8597 1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1802 -0.3449 0.4021 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2792 -1.3278 -0.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2443 -0.1273 0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9041 0.4531 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2747 1.2066 -1.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2202 1.2218 -1.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7303 1.0067 -0.0620 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3138 2.1259 0.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3851 0.3502 -0.3955 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9163 1.5714 0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9106 0.3534 -1.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3974 0.3361 -1.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0540 -0.4104 -0.7251 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7382 0.4397 0.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1973 -1.3554 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2959 -2.7303 -0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8548 -1.5564 1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7832 -0.9365 0.2394 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3810 -1.0024 1.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9825 -0.5122 1.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4221 -0.4221 2.9033 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0988 3.1499 -1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 2.0329 -2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 3.6146 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4777 2.7135 0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4017 1.4447 1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7054 2.9806 0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7079 1.9322 -1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4952 1.4516 0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6205 -0.3686 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0403 -1.6835 1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4298 0.0081 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9004 -0.6918 -0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7158 -2.9090 -1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9987 -2.4159 -1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2419 -3.5331 1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 0.1066 -0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2806 0.7501 2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2176 -0.6001 1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 -1.9164 1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 -0.8801 2.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 -2.2981 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 -1.5299 -1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 -1.1000 -1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6295 0.7593 -2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 2.2609 -1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5481 2.2222 -1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 0.5032 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7869 2.1530 0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 3.0800 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8404 2.1315 1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 1.3254 1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 2.3214 0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6409 2.1333 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4655 -0.4423 -2.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5798 1.3263 -2.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -0.0552 -2.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8251 1.3824 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8938 -1.0116 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1217 1.2074 -0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6013 -3.3819 -0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0342 -2.6664 -1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3118 -3.1165 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0361 -0.6098 1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3591 -2.3338 1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8781 -1.9680 1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 -1.7297 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3372 -2.0819 2.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0539 -0.4128 2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 2 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 6 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 1 17 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 20 11 1 0 31 22 1 0 20 14 1 0 33 16 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 1 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 7 44 1 0 7 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 11 50 1 6 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 15 55 1 0 15 56 1 0 15 57 1 0 18 58 1 0 18 59 1 0 19 60 1 0 19 61 1 0 21 62 1 0 21 63 1 0 21 64 1 0 23 65 1 0 23 66 1 0 23 67 1 0 24 68 1 0 24 69 1 0 25 70 1 0 25 71 1 0 26 72 1 6 27 73 1 0 29 74 1 0 29 75 1 0 29 76 1 0 30 77 1 0 30 78 1 0 30 79 1 0 31 80 1 6 32 81 1 0 32 82 1 0 M END