BU85LP -OEChem-04022103002D 44 46 0 1 0 0 0 0 0999 V2000 5.3692 2.4197 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -3.1160 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 3.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 1.6766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7001 3.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 1.7506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 2.0596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 1.4718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3660 3.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1124 3.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 2.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9045 4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 1.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4184 1.1904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9725 3.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3012 3.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 2.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 1.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 1.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5731 3.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8718 2.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6531 2.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2550 3.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5109 4.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7756 4.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 3.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -2.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -4.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 -4.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 7 6 1 1 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 1 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$