BK3WE1 -OEChem-04022109082D 50 53 0 1 0 0 0 0 0999 V2000 5.4836 -1.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2049 -1.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5662 -0.1682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -0.1682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0303 -0.1682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 1.3318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6527 0.2386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9836 -0.5046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4448 1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4617 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4323 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -1.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4323 1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8964 0.3318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1643 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7624 -0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 1.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8964 1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7624 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6284 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6284 -1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4944 -0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4944 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1345 0.6287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6459 -1.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0512 1.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3159 1.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8383 1.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 1.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -1.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8953 1.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8964 -0.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -1.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0303 -0.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.1262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 2.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5164 1.3318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8964 1.9518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2764 1.3318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2255 -1.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6284 0.9518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6284 -2.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0314 0.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0314 -1.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 4 17 1 0 0 0 0 16 5 1 1 0 0 0 5 17 1 0 0 0 0 5 40 1 0 0 0 0 6 17 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 1 0 0 0 7 29 1 0 0 0 0 8 10 1 1 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 13 34 1 0 0 0 0 14 19 2 0 0 0 0 14 35 1 0 0 0 0 15 22 2 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 16 37 1 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END $$$$