BUQE96 -OEChem-04042102293D 36 38 0 0 0 0 0 0 0999 V2000 2.9143 -2.3989 -0.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0911 2.3600 0.1722 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3933 -0.0722 -0.0729 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 -0.8992 0.3642 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3365 -1.3459 0.5872 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5608 1.2820 -0.5782 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1984 0.1390 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 0.0842 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0428 1.1394 -0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9844 1.2584 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 -1.1422 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2888 -0.5782 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 0.6891 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2895 -1.1945 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3782 1.2061 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -0.0203 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 -0.7375 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6215 0.5238 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2003 -3.1061 0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4187 2.7743 1.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 0.0386 -1.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6199 -1.7631 0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7473 2.0873 -0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 2.2241 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3421 -2.0707 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3977 -1.3077 0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5925 0.9689 -0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7046 -4.0402 0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2745 -3.3456 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 -2.5193 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0312 2.0176 1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5089 2.9641 2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 3.7027 1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1312 -0.0206 -1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8265 1.0006 -1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7594 -0.7817 -1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 22 1 0 0 0 0 5 12 2 0 0 0 0 5 17 1 0 0 0 0 6 13 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 15 1 0 0 0 0 10 24 1 0 0 0 0 11 14 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$