B9LCQ3 -OEChem-04022103002D 47 49 0 0 0 0 0 0 0999 V2000 8.6315 -3.9264 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2778 -3.3884 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6350 -1.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 3.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3673 2.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.0819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9887 -2.2316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 -1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 -2.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3673 -0.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 2.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -0.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6565 -1.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2993 -3.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 2.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 -0.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7004 -1.4883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3963 -2.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9896 -2.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1747 0.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7004 3.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 2.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9597 -0.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3664 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6139 0.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 1.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4919 -3.7715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6168 3.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 22 2 0 0 0 0 5 26 1 0 0 0 0 5 44 1 0 0 0 0 6 26 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 26 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 24 2 0 0 0 0 18 35 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END $$$$