B1RKB2 -OEChem-04022117503D 53 55 0 0 0 0 0 0 0999 V2000 -2.7901 -0.4617 0.4037 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3306 0.2328 1.8890 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4829 1.8250 -0.6431 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5917 3.2573 -0.6221 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5176 -0.2737 -0.1029 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9354 0.1048 0.8444 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5611 2.3125 -0.3189 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.5126 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3654 0.3058 0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -1.0411 0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1501 -0.6160 -1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 -0.7497 1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9889 -2.0939 -1.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 0.5752 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 0.8872 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6611 1.2711 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 1.5661 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 -0.0159 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2398 -0.7136 0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1231 -1.0065 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6069 0.9263 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9305 2.2417 -0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 0.8578 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7592 -0.3411 -0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4364 -0.6016 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8793 -1.2192 -1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2339 -1.7404 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6768 -2.3580 -1.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3540 -2.6187 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8219 -1.5731 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6798 -0.2013 -1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 1.3740 0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6674 0.0193 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6853 -0.7233 1.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9469 -2.1207 0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6882 -0.0264 -2.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2061 -0.3273 -1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5592 -0.6159 1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9897 -1.1418 2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8159 0.3266 1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1968 -1.2291 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 -2.2835 -2.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 -2.4238 -1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5462 -2.7448 -1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 2.5783 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9373 -1.5280 0.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4227 -2.0233 0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1524 3.2269 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4641 1.7234 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -1.0295 -2.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7609 -1.9432 1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7705 -3.0417 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9748 -3.5053 -0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 25 1 0 0 0 0 3 15 2 0 0 0 0 4 22 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 38 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 M END $$$$