B1OWR7 -OEChem-04022100402D 46 48 0 1 0 0 0 0 0999 V2000 11.4957 2.6029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1356 1.3417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2346 1.9630 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.3971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.3971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -2.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 0.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 -0.9076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -0.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.1029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4641 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 0.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1851 1.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9841 0.9797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5856 0.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4607 1.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6636 1.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6636 -1.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4607 -1.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -1.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8626 -0.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0656 -0.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1306 -0.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 -0.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -2.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -2.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -0.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 5 27 1 0 0 0 0 6 27 1 0 0 0 0 7 19 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 17 11 1 6 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 25 43 1 0 0 0 0 26 29 1 0 0 0 0 26 44 1 0 0 0 0 28 29 2 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$