D0E3SF -OEChem-04152110172D 82 87 0 1 0 0 0 0 0999 V2000 4.2037 3.8237 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 6.0185 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7204 -0.4967 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 2.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 1.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9653 6.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7004 4.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3396 3.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 4.3271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5634 5.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6974 6.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5288 -3.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -1.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7218 -6.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9653 3.9943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 3.9702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7271 -2.2403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6984 -5.4093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9653 2.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4653 2.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4653 2.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 2.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7032 3.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 2.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5673 4.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4391 2.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0993 4.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2993 4.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2104 2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8314 4.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2054 3.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0993 5.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2993 5.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8314 5.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2054 6.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9653 5.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6974 5.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2171 0.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 -0.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2171 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2237 -1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1373 -3.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 -3.8243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2237 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5051 -4.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -2.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8068 -6.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5642 3.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8827 2.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3577 1.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5730 1.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0479 2.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4889 4.5453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 3.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 1.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9753 1.9934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 4.9433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1669 4.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6534 2.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0492 3.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7339 2.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 1.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3683 4.1843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 3.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 6.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0804 4.6854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8015 3.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 0.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5037 -3.6525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 -2.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 -4.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5358 -1.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1004 -0.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1004 5.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7791 -5.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1005 -4.6452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 -5.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6336 -6.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 -7.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3664 -7.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 33 1 0 0 0 0 3 39 1 0 0 0 0 4 22 1 0 0 0 0 5 29 1 0 0 0 0 5 38 1 0 0 0 0 6 36 2 0 0 0 0 7 68 1 0 0 0 0 8 69 1 0 0 0 0 10 37 1 0 0 0 0 10 76 1 0 0 0 0 11 37 2 0 0 0 0 12 43 1 0 0 0 0 12 47 1 0 0 0 0 13 47 2 0 0 0 0 14 48 2 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 15 30 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 28 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 47 1 0 0 0 0 18 46 1 0 0 0 0 18 48 1 0 0 0 0 18 79 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 23 25 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 31 2 0 0 0 0 27 32 1 0 0 0 0 28 31 1 0 0 0 0 28 33 2 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 34 2 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 67 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 44 1 0 0 0 0 40 45 2 0 0 0 0 40 70 1 0 0 0 0 41 44 2 0 0 0 0 41 45 1 0 0 0 0 42 43 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 43 46 1 6 0 0 0 43 73 1 0 0 0 0 44 74 1 0 0 0 0 45 75 1 0 0 0 0 46 77 1 0 0 0 0 46 78 1 0 0 0 0 48 49 1 0 0 0 0 49 80 1 0 0 0 0 49 81 1 0 0 0 0 49 82 1 0 0 0 0 M END $$$$