L3JEV7 -OEChem-05032300462D 84 87 0 1 0 0 0 0 0999 V2000 6.3301 2.5236 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 0.9358 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 7.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0166 -1.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9556 -5.8874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.0236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 7.0236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 -0.8243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.0153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1366 -7.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5434 -6.6965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7299 -8.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0502 -8.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2231 -7.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5379 -6.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 7.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3623 -4.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7745 -4.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1813 -3.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7800 -4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 8.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5935 -2.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1922 -3.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5990 -2.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0112 -1.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 0.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7955 -6.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1635 -8.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4777 -9.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2963 -8.7757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7980 -8.5832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6166 -8.2689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3024 -7.4504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 -6.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6567 -6.9511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9709 -7.7697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3390 -5.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6027 -7.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1545 -6.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4731 -5.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 7.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 6.9159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 5.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 5.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 7.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 7.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 5.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 6.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8763 -5.3206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7930 -4.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7979 -3.1865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5278 -4.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 8.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 9.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 8.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8457 -1.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5756 -3.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 1.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 1.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0345 -0.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9315 1.1274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 41 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 24 2 0 0 0 0 4 25 2 0 0 0 0 5 30 1 0 0 0 0 5 40 1 0 0 0 0 6 38 2 0 0 0 0 13 7 1 1 0 0 0 7 22 1 0 0 0 0 7 54 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 24 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 25 1 0 0 0 0 10 38 1 0 0 0 0 10 42 1 0 0 0 0 10 80 1 0 0 0 0 11 42 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 20 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 21 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 23 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 1 0 0 0 0 25 29 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 27 68 1 0 0 0 0 28 33 2 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 36 1 0 0 0 0 31 35 2 0 0 0 0 31 73 1 0 0 0 0 32 34 2 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 33 75 1 0 0 0 0 34 38 1 0 0 0 0 35 37 1 0 0 0 0 36 37 2 0 0 0 0 36 76 1 0 0 0 0 37 39 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 41 43 2 0 0 0 0 43 84 1 0 0 0 0 M END $$$$