BHS3P4 -OEChem-04012113182D 47 49 0 0 0 0 0 0 0999 V2000 5.0981 4.6160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.8840 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 3 25 1 0 0 0 0 4 16 2 0 0 0 0 5 18 2 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 35 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 39 1 0 0 0 0 9 15 2 0 0 0 0 9 21 1 0 0 0 0 10 17 1 0 0 0 0 10 26 2 0 0 0 0 11 23 1 0 0 0 0 11 29 2 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 17 22 2 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 24 27 2 0 0 0 0 24 42 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$