BB2PT6 -OEChem-04022103152D 59 61 0 1 0 0 0 0 0999 V2000 3.4151 -5.4467 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.5661 6.8618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5661 5.8618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5661 5.8618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1338 1.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6174 0.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 -4.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1393 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8219 -6.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -5.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3287 -5.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -0.2790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5351 0.3209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7866 1.7686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5956 0.3673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9528 -0.3835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3595 -1.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7718 -2.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5406 0.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1785 -3.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7772 -2.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1229 1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 -3.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 -2.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5516 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5661 1.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1174 1.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 -3.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5661 2.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7001 1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7001 3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4321 3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5661 4.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7001 4.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4321 4.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5661 5.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5884 -0.8851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7902 -1.7431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8735 -0.9504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5938 -0.7806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7873 -0.2455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7951 -3.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5251 -1.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2938 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5656 1.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8429 -4.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5728 -2.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7782 1.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1767 1.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1632 3.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9691 3.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6218 1.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 0.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 0.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1632 4.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9691 4.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4574 -6.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 37 1 0 0 0 0 5 19 2 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 8 25 2 0 0 0 0 9 58 1 0 0 0 0 10 59 1 0 0 0 0 16 12 1 6 0 0 0 12 25 1 0 0 0 0 12 41 1 0 0 0 0 13 19 1 0 0 0 0 13 22 1 0 0 0 0 13 42 1 0 0 0 0 14 27 2 0 0 0 0 14 30 1 0 0 0 0 15 30 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 24 2 0 0 0 0 21 44 1 0 0 0 0 22 27 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 28 2 0 0 0 0 23 47 1 0 0 0 0 24 28 1 0 0 0 0 24 48 1 0 0 0 0 25 33 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 31 35 1 0 0 0 0 31 51 1 0 0 0 0 32 36 2 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 M END $$$$