B96PFA -OEChem-04012115502D 50 53 0 0 0 0 0 0 0999 V2000 2.0000 -1.6845 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6845 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3155 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -2.5506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -0.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 -2.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6259 3.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3367 2.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -3.4893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 -0.9293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0296 -0.7231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -1.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 -2.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3403 0.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6724 0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3188 0.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9831 1.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6294 1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9616 2.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3153 2.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -3.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.3045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9331 -4.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -2.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -2.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6341 -3.2215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0658 0.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7328 -0.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2361 1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 2.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2119 4.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 27 1 0 0 0 0 6 20 1 0 0 0 0 6 44 1 0 0 0 0 7 34 1 0 0 0 0 7 50 1 0 0 0 0 8 34 2 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 9 38 1 0 0 0 0 10 21 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 35 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 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 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 29 46 1 0 0 0 0 30 32 1 0 0 0 0 30 47 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 32 33 2 0 0 0 0 32 48 1 0 0 0 0 33 49 1 0 0 0 0 M END $$$$