B4VQF9 -OEChem-04042105113D 33 36 0 0 0 0 0 0 0999 V2000 -2.8033 -1.9636 -0.0584 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1123 1.8003 1.8617 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7089 0.3829 0.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9255 4.0088 -0.0726 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -0.1548 -0.0837 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9193 1.9659 -0.0756 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2936 2.2001 0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0242 -1.5856 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2607 -2.1620 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9968 0.6564 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3527 0.0237 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 -1.3103 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 0.4928 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1358 -2.4509 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -3.5563 0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5778 0.8480 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9737 -3.8378 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1693 0.8375 0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9334 0.7793 -1.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3004 -4.3903 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0286 2.7812 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4056 1.4689 0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 1.4104 -1.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 1.7555 -0.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4138 -1.8074 0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4046 -4.0052 0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7882 0.6222 1.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3681 0.5154 -2.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 -4.5082 0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4267 -5.4682 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0855 2.8360 0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 1.6331 -2.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8684 2.2468 -0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 22 1 0 0 0 0 3 16 2 0 0 0 0 4 21 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 21 1 0 0 0 0 7 16 1 0 0 0 0 7 21 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 25 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 17 2 0 0 0 0 15 20 2 0 0 0 0 15 26 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 22 1 0 0 0 0 18 27 1 0 0 0 0 19 23 2 0 0 0 0 19 28 1 0 0 0 0 20 30 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 24 33 1 0 0 0 0 M END $$$$