BHR1I8 -OEChem-04012120052D 56 59 0 1 0 0 0 0 0999 V2000 2.9176 1.1839 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.3507 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.6198 -1.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 -1.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 -2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3980 -0.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8070 -3.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3799 -1.5725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1025 -1.7535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 -0.4847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5709 -0.9847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6660 0.1493 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0321 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6198 0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5709 0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2754 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2935 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0844 -3.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9980 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9799 -4.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 4.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7506 -1.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4739 -1.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 0.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1397 0.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4494 -0.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 0.9140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0725 0.3797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 1.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 1.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7090 -2.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.6836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6689 -1.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3633 -4.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9151 -4.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5965 -4.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 2.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 3.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0181 4.1493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 4.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 4.1493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 6 22 1 0 0 0 0 8 28 1 0 0 0 0 8 33 1 0 0 0 0 9 25 2 0 0 0 0 10 28 2 0 0 0 0 11 31 2 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 25 1 0 0 0 0 13 31 1 0 0 0 0 13 48 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 35 1 0 0 0 0 15 20 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 28 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 26 1 0 0 0 0 23 29 2 0 0 0 0 24 27 2 0 0 0 0 24 44 1 0 0 0 0 26 30 2 0 0 0 0 26 45 1 0 0 0 0 27 31 1 0 0 0 0 27 32 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 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 M END $$$$