BM31CQ -OEChem-04012113532D 42 43 0 0 0 0 0 0 0999 V2000 3.7891 3.1639 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 4.1149 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 4.9239 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 3.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 4.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -2.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -5.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -4.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -5.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -5.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -4.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 2.9723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 2 22 1 0 0 0 0 3 22 2 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 16 19 2 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$