B5BMD4 -OEChem-04012120372D 54 56 0 1 0 0 0 0 0999 V2000 6.3301 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -0.3623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2862 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2862 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 1.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2791 -1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2791 2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7281 -0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7281 1.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 1 45 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 14 4 1 1 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 46 1 0 0 0 0 6 17 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 20 48 1 0 0 0 0 21 23 1 0 0 0 0 21 25 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 25 27 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$