B51LFM -OEChem-04012114022D 42 45 0 0 0 0 0 0 0999 V2000 5.1350 2.5770 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -0.2277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 1.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 1.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 1.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -2.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -2.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0309 -2.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -2.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1399 1.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1399 -0.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 1.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1509 0.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 1.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4109 -2.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8409 -0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8409 -1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 -3.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6509 -2.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8409 -3.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 36 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 28 1 0 0 0 0 4 21 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 21 2 0 0 0 0 5 42 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 10 27 1 0 0 0 0 11 13 2 0 0 0 0 12 15 2 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M END $$$$