LBW1D4 -OEChem-05032301072D 76 81 0 1 0 0 0 0 0999 V2000 7.6530 1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 1.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4260 -4.6651 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.4260 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9260 -0.3349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4260 -2.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.3349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.3696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.1859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9260 -3.7990 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4260 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9260 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4260 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9260 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4260 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9260 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 -1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.6651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3424 0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9260 -3.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9260 -3.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4260 -4.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4260 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9215 -2.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4260 -4.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4260 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9260 -3.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 4.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -1.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5086 -0.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8183 0.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4510 -1.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4510 -2.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0086 -0.9889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3183 -0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8434 -3.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 -3.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4009 -2.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4009 -1.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0913 -1.7066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8798 -1.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 0.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3434 -4.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0336 -4.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.9549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 1.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 1.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0005 -2.9496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -2.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1160 -5.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1160 -2.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 -2.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 -3.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2377 -3.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7360 -5.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7360 -2.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1501 4.6651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 5.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9101 4.6651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 28 2 0 0 0 0 3 31 2 0 0 0 0 4 11 1 0 0 0 0 5 11 2 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 22 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 23 1 0 0 0 0 8 20 1 0 0 0 0 8 25 1 0 0 0 0 8 59 1 0 0 0 0 9 25 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 28 1 0 0 0 0 10 31 1 0 0 0 0 10 64 1 0 0 0 0 11 41 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 43 1 0 0 0 0 13 16 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 17 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 20 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 6 0 0 0 21 56 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 33 2 0 0 0 0 27 34 1 0 0 0 0 29 35 1 0 0 0 0 29 60 1 0 0 0 0 30 36 2 0 0 0 0 30 61 1 0 0 0 0 32 38 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 39 1 0 0 0 0 33 65 1 0 0 0 0 34 40 2 0 0 0 0 34 66 1 0 0 0 0 35 37 2 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 36 68 1 0 0 0 0 37 42 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 41 2 0 0 0 0 39 72 1 0 0 0 0 40 41 1 0 0 0 0 40 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 M CHG 2 4 -1 11 1 M END $$$$