B2LBR3 -OEChem-04012115142D 42 42 0 1 0 0 0 0 0999 V2000 3.6428 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2768 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 1.7320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 4.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8749 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 5.7580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 7.4901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1051 4.9533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6887 5.7580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 6.6240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1200 6.6240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2078 4.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 5.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1588 5.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1588 6.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 7.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 5.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1051 6.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 7.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 6.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 6.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 4.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 4.3826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 7.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 6.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 7.7021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5123 8.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0831 6.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 5.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 5.4480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 8.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 7.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2977 4.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2977 7.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 8.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 6.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 15 2 0 0 0 0 5 23 1 0 0 0 0 5 42 1 0 0 0 0 6 23 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 12 8 1 6 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 10 20 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 6 0 0 0 11 24 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 16 17 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 M END $$$$