BHS2I7 -OEChem-04012113002D 44 45 0 0 0 0 0 0 0999 V2000 5.4641 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 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 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 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 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 19 1 0 0 0 0 11 27 1 0 0 0 0 12 20 1 0 0 0 0 12 28 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 21 1 0 0 0 0 15 33 1 0 0 0 0 16 22 1 0 0 0 0 16 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$