B3LH2D -OEChem-04022105212D 42 44 0 0 0 0 0 0 0999 V2000 10.6882 -1.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -1.2314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6766 1.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 0.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2966 1.8345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6694 2.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0566 1.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 1.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 1.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 22 1 0 0 0 0 2 21 2 0 0 0 0 3 22 2 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 4 31 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 8 19 2 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 25 1 0 0 0 0 11 13 2 0 0 0 0 11 26 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 15 24 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$