B7RQ3C -OEChem-04012119012D 41 43 0 0 0 0 0 0 0999 V2000 7.2764 -1.5106 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2941 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4477 -1.5149 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2078 -1.7937 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2941 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.0719 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.6601 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -0.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1387 1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2259 -1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.0988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3988 -0.2059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2078 0.3819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4477 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3988 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1214 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9304 0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1339 0.7573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9696 1.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3806 2.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5051 2.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4577 1.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1430 0.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2948 0.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4320 0.9274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5660 1.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 22 1 0 0 0 0 3 27 1 0 0 0 0 4 27 2 0 0 0 0 5 26 1 0 0 0 0 6 26 1 0 0 0 0 7 26 1 0 0 0 0 10 25 2 0 0 0 0 11 28 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 22 2 0 0 0 0 17 21 1 0 0 0 0 18 24 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 25 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 28 29 1 0 0 0 0 29 39 1 0 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 M END $$$$