B1DXS3 -OEChem-04022101502D 40 40 0 1 0 0 0 0 0999 V2000 3.7320 -3.4330 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 2.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 2.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 3.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 3.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 3.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 1.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 1.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 2.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 7 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 6 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 17 2 0 0 0 0 15 38 1 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 M END $$$$