BH2U9C -OEChem-04022106153D 35 36 0 0 0 0 0 0 0999 V2000 -4.5558 -2.8496 -0.0056 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8185 3.3828 0.0040 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 -0.6518 0.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6847 0.8544 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 -2.6482 0.0033 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1639 -0.9742 0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 -0.5809 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8184 1.6037 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6719 0.8093 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4382 -0.3591 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0479 -1.1767 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0796 1.0079 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2066 -1.3561 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1943 -0.3823 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5919 -1.4101 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9232 -0.3495 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5952 -1.1226 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4919 1.0268 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6959 3.0902 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7328 1.6638 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8361 -0.4855 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9048 0.9077 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 1.3060 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 -2.2577 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1344 -1.9743 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 -1.9776 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 1.6149 -0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1775 -1.9920 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1764 -0.8460 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6301 1.6762 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 3.4138 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6081 3.5679 0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 3.4512 -1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7590 -1.0601 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8787 1.3905 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 16 2 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 23 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 29 1 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$