BWR50I -OEChem-04012113573D 45 48 0 0 0 0 0 0 0999 V2000 7.1624 -1.2650 0.3481 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0055 -0.0903 0.7577 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0631 2.2719 0.4108 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 1.9106 -0.2331 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 -0.0218 0.0775 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7831 0.7802 0.9789 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -4.6014 -0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8437 2.8244 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 2.6524 -0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6615 2.0940 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8203 4.1020 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5675 3.9189 -0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6147 4.6494 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5365 0.9480 0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2773 0.1327 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1825 -1.2772 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 0.6249 0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2839 -2.3159 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4406 -1.5794 0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5254 -1.2390 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3416 1.0322 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -2.0764 -1.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2046 -0.4999 1.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8378 -1.7112 0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 0.5600 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3273 -3.5846 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9022 -0.8117 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4949 -3.0973 -1.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6186 -4.3305 -1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.1395 0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7347 4.6812 -0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 4.3546 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7857 2.9576 0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5351 2.3879 -0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 5.6442 -1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8475 -2.5807 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7107 -1.9567 0.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1985 2.1059 0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2622 -1.1077 -1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2091 -0.6378 1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0316 -2.7790 0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4832 1.2592 0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0102 -3.8528 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2421 -2.9333 -2.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 -5.1597 -1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 17 2 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 3 33 1 0 0 0 0 4 9 1 0 0 0 0 4 17 1 0 0 0 0 4 34 1 0 0 0 0 5 14 1 0 0 0 0 5 16 2 0 0 0 0 6 14 2 0 0 0 0 6 23 1 0 0 0 0 7 26 1 0 0 0 0 7 29 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 35 1 0 0 0 0 15 17 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 22 1 0 0 0 0 18 26 2 0 0 0 0 19 23 2 0 0 0 0 19 36 1 0 0 0 0 20 24 1 0 0 0 0 20 37 1 0 0 0 0 21 25 2 0 0 0 0 21 38 1 0 0 0 0 22 28 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 27 2 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 M END $$$$