BH21MR -OEChem-04012118042D 39 41 0 0 0 0 0 0 0999 V2000 5.4641 -1.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 0.3865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 -1.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 1.3623 0.0000 N 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 9.0000 -1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1060 0.3970 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 8.1060 -1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 0.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -0.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1132 1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1132 -2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6642 -1.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 0.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2071 0.8696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3383 1.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 0.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2881 -2.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1350 -1.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9081 -1.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 1.0198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4029 1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3291 1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 0.2152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -2.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 2 28 1 0 0 0 0 3 6 2 0 0 0 0 3 13 1 0 0 0 0 4 9 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 23 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 29 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$