BO59RW -OEChem-04022101422D 42 45 0 0 0 0 0 0 0999 V2000 8.7477 -4.4231 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7357 2.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 4.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5530 -3.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0731 3.5221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4793 0.2941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2738 0.1526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2568 -1.2962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6721 1.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5731 1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4741 1.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 2.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4496 2.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0731 3.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9196 1.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4591 3.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3436 1.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 2.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9219 1.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3353 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0808 -1.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0022 -2.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9835 -1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8263 -3.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8075 -1.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7290 -2.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 2.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0832 3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8041 4.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0645 0.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 3.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8991 1.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 0.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6971 -1.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4426 -3.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0322 -0.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3672 -1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 2.4372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5439 1.5612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1126 -3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 27 1 0 0 0 0 3 14 2 0 0 0 0 4 26 1 0 0 0 0 4 42 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 30 1 0 0 0 0 6 10 2 0 0 0 0 6 20 1 0 0 0 0 7 17 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 15 19 2 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$