B8F6QV -OEChem-04022109542D 43 44 0 0 0 0 0 0 0999 V2000 5.6974 1.5036 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2852 2.3126 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 0.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -3.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 -0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9086 -0.0655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 1.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 3.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4662 4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8839 3.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4951 3.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -1.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -1.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 3.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8307 4.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9647 4.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9488 3.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2673 3.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8191 2.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -2.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -3.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 0.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 0.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 1.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 1.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 0.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8454 -4.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -4.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 -4.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 22 1 0 0 0 0 4 17 1 0 0 0 0 4 24 1 0 0 0 0 5 18 2 0 0 0 0 6 21 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 18 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 14 19 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$