BC9DQ2 -OEChem-04022102582D 44 46 0 1 0 0 0 0 0999 V2000 3.6942 2.4197 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 -4.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 3.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0251 1.6766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3633 3.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 1.7506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 2.0596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1974 1.4718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6974 3.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 3.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -2.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 -3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 1.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6450 1.1904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7622 3.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 3.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3164 1.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5728 2.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3084 1.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8222 2.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 0.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 0.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 3.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 2.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 2.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 3.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 4.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 4.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 -2.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 -2.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 -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 22 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 6 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 6 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 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$