B5KQP3 -OEChem-04012118592D 52 54 0 0 0 0 0 0 0999 V2000 17.5885 -2.0600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 18 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 24 2 0 0 0 0 6 27 2 0 0 0 0 9 35 1 0 0 0 0 9 52 1 0 0 0 0 10 35 2 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 11 40 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 20 2 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 19 2 0 0 0 0 16 22 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 25 2 0 0 0 0 19 37 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 29 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 25 29 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 48 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 31 33 2 0 0 0 0 31 49 1 0 0 0 0 32 34 2 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 M END $$$$