BWE7Q9 -OEChem-04012117142D 81 86 0 0 0 0 0 0 0999 V2000 4.9743 1.2775 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2699 -2.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8438 2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1049 0.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 3.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6526 -3.8742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9658 1.4080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 2.4624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6526 -6.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 -6.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3597 -5.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3597 -4.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 -5.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0352 -2.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 -4.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 -3.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4265 -2.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2536 -6.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2536 -4.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0515 -6.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0515 -4.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 -0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4351 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8092 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1597 -5.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1597 -4.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9829 1.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 -1.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 -0.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 -5.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 -4.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3827 1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3485 2.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5745 0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7226 3.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 3.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0967 4.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0882 4.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4880 5.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4708 5.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8706 6.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8621 6.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -6.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1895 -6.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1156 -6.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 -6.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5582 -3.2835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4541 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2464 -6.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2464 -3.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0587 -6.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0587 -3.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1978 -2.8603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4239 -1.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6954 -5.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6954 -4.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2116 -1.5751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4377 0.1330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6097 -5.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6097 -4.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 -0.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 2.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0053 2.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7496 4.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1173 3.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0827 0.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9520 0.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0664 0.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6870 2.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3193 3.3826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7173 1.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4656 4.0793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8733 5.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0855 5.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4932 6.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0993 6.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 28 1 0 0 0 0 2 16 2 0 0 0 0 5 37 2 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 37 1 0 0 0 0 8 39 1 0 0 0 0 8 76 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 13 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 19 2 0 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 14 17 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 26 1 0 0 0 0 18 53 1 0 0 0 0 19 27 1 0 0 0 0 19 54 1 0 0 0 0 20 31 1 0 0 0 0 20 55 1 0 0 0 0 21 32 1 0 0 0 0 21 56 1 0 0 0 0 22 25 1 0 0 0 0 22 29 2 0 0 0 0 22 30 1 0 0 0 0 23 29 1 0 0 0 0 23 57 1 0 0 0 0 24 30 2 0 0 0 0 24 58 1 0 0 0 0 25 28 1 0 0 0 0 25 33 2 0 0 0 0 26 27 2 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 28 34 2 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 36 2 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 40 41 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 77 1 0 0 0 0 43 45 2 0 0 0 0 43 78 1 0 0 0 0 44 46 2 0 0 0 0 44 79 1 0 0 0 0 45 46 1 0 0 0 0 45 80 1 0 0 0 0 46 81 1 0 0 0 0 M END $$$$