BW98AP -OEChem-04012112172D 43 45 0 1 0 0 0 0 0999 V2000 10.9666 1.9630 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2278 2.6029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.8677 1.3417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.9076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -0.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 0.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 1.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 0.9797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 0.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -1.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 25 1 0 0 0 0 5 27 1 0 0 0 0 6 18 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 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 10 1 0 0 0 0 9 15 2 0 0 0 0 10 19 2 0 0 0 0 17 11 1 6 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$