B96PFA -OEChem-04022103213D 50 53 0 0 0 0 0 0 0999 V2000 -6.1831 -3.9995 -1.5379 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4301 1.1854 2.1856 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6926 -2.7177 -0.6172 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 0.4771 3.1733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3459 2.2288 2.6256 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 2.6529 -2.3664 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 -2.5497 1.3027 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2630 -0.2939 1.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3262 3.3524 -1.7658 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 0.0402 1.2691 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8636 0.5310 -0.2118 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6174 0.1347 -1.1352 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 1.8821 -0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3624 1.8833 0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3147 3.0006 -0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 1.3135 0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 1.5757 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7738 2.9996 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9421 3.5810 -0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 2.4972 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1153 0.4816 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3335 -0.3756 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 -1.6424 -0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5883 0.0966 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3414 -2.4370 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7197 -0.6979 0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5962 -1.9647 -0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4287 -0.9210 -0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6734 -0.6514 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -2.2392 -0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4785 -1.6998 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 -3.2875 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0388 -3.0179 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7762 -1.4184 0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2226 0.4394 1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7526 3.4438 0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2634 4.4496 -1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2891 4.1300 -2.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9472 -0.9217 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4983 0.4452 -0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4265 1.5239 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2302 -2.0077 -0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6991 1.0803 0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3399 3.4211 -2.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6965 -0.3310 0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0069 0.3799 -0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0211 -2.4594 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 -4.3136 -0.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6331 -3.8639 0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3047 -2.3490 1.7014 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 $$$$