BHO5R1 -OEChem-04022101393D 40 43 0 0 0 0 0 0 0999 V2000 -5.8894 -0.8147 2.0612 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4688 0.2335 0.3015 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7549 -0.0533 -2.1232 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4903 1.1140 -1.7782 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.6649 0.4204 -0.0581 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3932 -0.1175 -0.1097 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5751 0.5483 -0.6632 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7166 0.0563 -0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -1.1482 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3373 1.3317 -0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8901 -0.9919 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 1.3500 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 -2.4439 -0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5976 2.5236 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6958 -2.1090 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2526 2.5400 0.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7443 -0.1576 -0.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -3.5590 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 3.7101 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1863 -3.3913 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5086 3.7184 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0307 -0.3153 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1842 0.1798 -0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0309 -0.9510 1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3917 0.0323 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2386 -1.0986 1.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -0.6069 1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6496 0.1459 -1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3249 -0.1449 0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 -2.6017 -0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5659 2.5483 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.9866 0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2867 2.5539 1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -4.5578 -0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6011 4.6284 0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8119 -4.2592 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 4.6423 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 0.6796 -1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1426 -1.3803 1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2439 -1.6064 2.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 17 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 29 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 18 1 0 0 0 0 13 30 1 0 0 0 0 14 19 1 0 0 0 0 14 31 1 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 16 21 1 0 0 0 0 16 33 1 0 0 0 0 17 22 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$