BM3KU0 -OEChem-04022103062D 51 53 0 0 0 0 0 0 0999 V2000 11.5263 0.3030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.0706 0.4982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 1.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -0.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 1.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0706 2.1077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6542 1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 2.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2632 2.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -2.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -2.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7340 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 9 1 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 5 20 2 0 0 0 0 6 24 1 0 0 0 0 6 29 1 0 0 0 0 7 23 2 0 0 0 0 8 27 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 37 1 0 0 0 0 10 20 1 0 0 0 0 10 22 1 0 0 0 0 10 41 1 0 0 0 0 11 18 1 0 0 0 0 11 23 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 20 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M END $$$$