BOQ2S3 -OEChem-04012114472D 44 47 0 0 0 0 0 0 0999 V2000 8.0994 -2.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5171 -1.7739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 1.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6736 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5294 -1.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1049 -2.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 1.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6982 -3.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2860 -4.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -5.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2805 -4.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4670 -6.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8683 -5.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4615 -5.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0098 -0.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2859 -0.8832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7705 -0.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9171 -1.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4324 -2.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 1.3219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1842 -3.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2675 -3.9425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2626 -5.2838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5326 -3.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2148 -6.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4849 -4.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8260 -6.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.5281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.3381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 6.0281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 27 1 0 0 0 0 2 44 1 0 0 0 0 3 27 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 7 15 1 0 0 0 0 8 17 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 19 22 2 0 0 0 0 19 37 1 0 0 0 0 20 24 2 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$