BHD3M4 -OEChem-04022104353D 54 59 0 0 0 0 0 0 0999 V2000 0.7987 1.8915 1.9769 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0995 -3.0062 0.1727 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -1.7257 -2.6719 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6858 1.9786 -0.1984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8895 3.5818 -0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8353 -0.1914 2.2503 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 -2.3515 1.3806 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5493 -2.1588 -2.2668 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2889 -2.0942 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5808 -1.4791 2.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -2.8159 1.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0043 -1.5022 2.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 0.3168 0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3078 -0.4927 1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6819 -0.1435 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2819 1.6255 1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5071 1.0353 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 0.2606 1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 2.7284 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6382 2.1558 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0041 -1.8462 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1262 -3.5729 -1.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8106 -2.3865 -2.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0975 -1.0908 -3.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2754 0.1736 -2.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 0.4028 -1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5944 1.5786 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 2.4941 -0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 1.1014 -2.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3702 2.2843 -1.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2317 3.2483 0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2693 -2.4961 3.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -0.6388 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3941 -1.4561 2.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6992 -3.6901 1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 -2.8637 0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4397 -0.7769 -0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 -0.7247 0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0276 1.4389 -1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 0.6810 -0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 3.3713 0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 3.3515 1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2712 2.9598 0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1401 1.7591 1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2236 -4.0844 -0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7165 -4.2879 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -0.9138 -3.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0592 -1.4372 -3.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2061 -2.7479 -1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2939 -0.3109 -1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7081 0.9144 -2.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 3.0087 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9114 4.0325 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2673 3.2175 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 2 0 0 0 0 4 27 1 0 0 0 0 4 31 1 0 0 0 0 5 28 1 0 0 0 0 5 31 1 0 0 0 0 6 12 2 0 0 0 0 6 18 1 0 0 0 0 7 12 1 0 0 0 0 7 21 2 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$