RDKit 3D 81 85 0 0 0 0 0 0 0 0999 V2000 11.6046 -0.0607 1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4869 -0.1590 0.1472 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2136 -0.2974 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1081 -0.3372 0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7910 -0.4772 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7230 -0.5490 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -0.4958 0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 -0.3299 -0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 -0.1619 -1.3612 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 -0.3512 0.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0431 -0.1930 -0.5999 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0880 -1.3664 -0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 -1.5546 0.7339 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7511 -2.8241 1.1936 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0546 -1.4307 0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -2.4327 0.9538 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 -0.3071 0.1952 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -0.3093 0.1351 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5534 -0.1668 -1.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7947 -0.2732 -1.7289 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0636 0.0546 -1.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4971 1.1222 -2.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8458 1.9152 -3.3491 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6219 2.7852 -3.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8996 2.5527 -3.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8019 1.4901 -2.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7217 0.7946 -1.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3211 -0.2555 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3060 -0.8992 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8999 -1.9576 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5610 -2.2921 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2216 -3.2680 1.2871 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6924 -1.6411 -0.1837 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0051 -0.6349 -0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5591 0.8332 1.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0003 1.0756 1.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8685 0.6752 2.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9987 1.9889 0.4231 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8973 -0.5795 1.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9159 0.8390 1.3168 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8362 1.5312 2.1283 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2307 1.0135 -0.1304 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0942 2.1225 -0.2417 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6452 -0.5763 -1.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7853 -0.5337 -2.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0481 -0.3971 -1.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1847 -0.3542 -2.5645 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1343 -0.9511 2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0465 0.8241 1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6674 -0.0309 1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2717 -0.2524 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1485 -0.7202 1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0113 -0.6118 1.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3961 -0.0627 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5649 -2.3026 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 -1.1222 -1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3963 -2.9887 2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5017 -1.2623 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9128 -0.9590 -1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 0.8479 -1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3497 3.5669 -4.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7897 3.0970 -3.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7410 1.1138 -1.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3357 -0.6272 -0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6148 -2.5177 1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0655 1.6992 2.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4591 1.7060 0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5119 0.1237 1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1356 -0.1409 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6264 0.4951 3.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3547 1.6157 2.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0268 2.7283 1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1857 -0.6490 2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -0.9102 2.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0673 1.3134 1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7648 1.2602 3.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3716 1.2233 -0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5874 2.9138 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6886 -0.7108 -1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6329 -0.6135 -3.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1223 -0.4224 -3.5708 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 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 0 13 14 1 1 13 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 13 15 1 0 15 16 2 0 15 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 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 34 2 0 34 33 1 0 33 31 1 0 31 32 2 0 31 30 1 0 30 29 2 0 18 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 5 44 2 0 44 45 1 0 45 46 2 0 46 47 1 0 46 3 1 0 42 11 1 0 34 21 1 0 26 22 1 0 29 28 1 0 1 48 1 0 1 49 1 0 1 50 1 0 4 51 1 0 6 52 1 0 7 53 1 0 11 54 1 6 12 55 1 0 12 56 1 0 14 57 1 0 39 73 1 0 39 74 1 0 40 75 1 6 41 76 1 0 42 77 1 6 43 78 1 0 18 58 1 1 19 59 1 0 19 60 1 0 24 61 1 0 25 62 1 0 27 63 1 0 30 65 1 0 29 64 1 0 36 66 1 0 36 67 1 0 36 68 1 0 37 69 1 0 37 70 1 0 37 71 1 0 38 72 1 0 44 79 1 0 45 80 1 0 47 81 1 0 M END