B4MB3O -OEChem-04012113492D 42 45 0 0 0 0 0 0 0999 V2000 4.6660 3.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.5580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.5580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.9420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 -1.7784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4456 -1.0353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6366 -2.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6147 -2.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0215 -3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -1.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 3.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 -2.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 3.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6862 1.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3062 2.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7313 -1.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4551 -3.8102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2736 -4.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5879 -3.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 9 2 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 39 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 13 19 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 30 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 23 2 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 25 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$