B3HQE6 -OEChem-04022101572D 22 22 0 1 0 0 0 0 0999 V2000 5.4368 -2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1779 2.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7602 2.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8677 -2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.0962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1278 -1.3308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6278 -2.8697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 -0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 1.2007 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1278 -1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 2.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8188 -2.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 0.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3774 0.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -0.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1093 -0.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 1.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 0.5298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6278 -3.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4301 3.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 12 1 0 0 0 0 2 22 1 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 5 10 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 11 2 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$