B1GUI9 -OEChem-04012117112D 47 49 0 1 0 0 0 0 0999 V2000 9.7260 0.6020 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2320 1.9680 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.2360 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -1.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 1.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 1.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.2027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 0.6020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7260 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6434 -0.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3336 -0.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6890 -1.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9160 -2.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7629 -2.3061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0360 1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -2.6161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8460 -1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -1.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2629 0.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0360 1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1890 0.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 5 28 1 0 0 0 0 6 22 1 0 0 0 0 6 27 1 0 0 0 0 7 20 1 0 0 0 0 7 29 1 0 0 0 0 9 25 1 0 0 0 0 9 30 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 33 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 18 24 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$