BEJG92 -OEChem-04012116262D 58 63 0 1 0 0 0 0 0999 V2000 11.0634 2.5843 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9284 -0.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5587 1.6717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2689 0.4694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8878 2.2287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2394 -1.8022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 1.4600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8579 0.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2390 2.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8784 0.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5634 1.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2544 1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5634 1.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8724 1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8867 0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2484 0.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9351 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9094 1.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5907 1.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9141 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 2.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2374 0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5803 -0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2267 0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5593 -0.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 2.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 0.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2057 1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 1.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8719 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2652 -1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9274 -2.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9471 -2.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3478 2.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2442 0.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8394 -0.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4786 2.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7166 2.5627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6521 -0.3165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4084 -0.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3694 2.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6522 0.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4112 0.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4081 -0.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1652 -0.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1967 1.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0206 2.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4267 -0.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8137 1.3400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 2.8972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8434 0.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3995 1.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4789 0.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8706 -1.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7313 -3.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3620 -2.8324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 17 2 0 0 0 0 3 8 1 0 0 0 0 3 16 1 0 0 0 0 3 43 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 4 20 1 0 0 0 0 5 15 1 0 0 0 0 5 20 2 0 0 0 0 6 24 1 0 0 0 0 6 33 2 0 0 0 0 7 35 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 16 19 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 18 21 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 27 1 0 0 0 0 22 49 1 0 0 0 0 23 28 2 0 0 0 0 23 50 1 0 0 0 0 24 26 2 0 0 0 0 25 29 1 0 0 0 0 25 51 1 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 30 2 0 0 0 0 27 52 1 0 0 0 0 28 30 1 0 0 0 0 28 53 1 0 0 0 0 29 31 2 0 0 0 0 29 54 1 0 0 0 0 30 35 1 0 0 0 0 31 55 1 0 0 0 0 32 34 2 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 M END $$$$