BL5WS8 -OEChem-04022103122D 42 45 0 0 0 0 0 0 0999 V2000 4.5981 2.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -1.2847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.2741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7340 0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 -1.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7239 -1.9008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3303 0.5346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1299 -1.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7364 1.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1362 0.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 28 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 16 2 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 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 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$