B3VCP2 -OEChem-04012112412D 27 28 0 0 0 0 0 0 0999 V2000 2.9176 -0.9396 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 0.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 12 2 0 0 0 0 3 17 2 0 0 0 0 4 7 1 0 0 0 0 4 27 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 22 1 0 0 0 0 7 17 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 M END $$$$