B1BGK6 -OEChem-04012115432D 48 52 0 0 0 0 0 0 0999 V2000 11.9291 2.7123 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.0056 4.1244 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5934 4.2009 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5169 2.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6015 -0.6409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -3.2009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 -1.1409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -4.0056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.2009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -2.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1356 -0.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9789 1.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8799 0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7232 1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6737 1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2613 3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9815 -0.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 -3.2009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3895 1.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -4.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4692 0.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1352 1.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -3.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -3.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.2378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 26 1 0 0 0 0 4 32 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 33 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 35 1 0 0 0 0 7 14 2 0 0 0 0 7 17 1 0 0 0 0 8 16 2 0 0 0 0 9 16 1 0 0 0 0 9 22 2 0 0 0 0 10 29 1 0 0 0 0 10 30 2 0 0 0 0 11 28 1 0 0 0 0 11 31 1 0 0 0 0 11 45 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 20 29 2 0 0 0 0 21 26 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 27 2 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 28 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 30 44 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 M END $$$$