BB3DR2 -OEChem-04022107332D 42 44 0 0 0 0 0 0 0999 V2000 4.6038 0.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1961 -0.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -0.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -1.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -0.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 -2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -2.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 -1.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9966 0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1995 0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0656 -0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8626 -0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5970 1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 1.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 0.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -2.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.4114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7331 0.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 20 1 0 0 0 0 2 10 1 0 0 0 0 2 36 1 0 0 0 0 3 18 2 0 0 0 0 4 21 1 0 0 0 0 4 42 1 0 0 0 0 5 21 2 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 33 1 0 0 0 0 7 11 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$