BR2EP3 -OEChem-04042105473D 47 49 0 0 0 0 0 0 0999 V2000 0.9597 4.4234 -0.1882 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.6907 -0.9401 -0.5161 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8781 -0.8159 -1.9576 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1757 -2.1463 0.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -2.5963 0.1914 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4068 -0.5286 -0.4081 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3911 0.4400 0.2573 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1053 -0.3820 0.6557 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5779 1.8865 0.2482 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8249 2.6055 -0.2425 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9868 -0.7768 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2646 -0.5149 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3855 0.2838 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0491 0.6292 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1629 -0.0701 -1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4497 -1.3524 0.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8019 0.0610 -0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0887 -1.2214 1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2621 1.3385 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8538 -1.0370 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2034 -1.3150 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6076 1.0318 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -0.2792 -0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2752 1.7479 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2079 0.5713 1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5069 2.8107 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 -3.3853 -0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2502 -0.4683 0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 0.3891 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0732 -1.9029 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4338 -1.0228 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1791 0.6058 -1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6834 -1.6732 2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1873 -1.8651 0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 1.8301 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9542 2.4725 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2536 2.1321 -0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5678 1.6541 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3215 -0.3985 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 0.9908 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9809 1.2316 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0378 -4.3770 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2943 -2.9357 -1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6307 -3.4943 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2727 -0.6956 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9402 -1.2077 1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2327 0.5354 1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 5 21 1 0 0 0 0 5 27 1 0 0 0 0 6 23 1 0 0 0 0 6 28 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 31 1 0 0 0 0 9 14 2 0 0 0 0 9 26 1 0 0 0 0 10 19 1 0 0 0 0 10 26 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 20 2 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$