B5HAV9 -OEChem-04012117112D 37 39 0 1 0 0 0 0 0999 V2000 8.8600 0.6020 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 1.6020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 1.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -1.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 1.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.2027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 0.6020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7774 -0.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4676 -0.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9800 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 -2.6161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9800 -1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 -1.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 17 1 0 0 0 0 4 23 1 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 16 2 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 28 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 32 1 0 0 0 0 22 33 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 M END $$$$