CHEMBRIDGE-ZINC04619411 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 1.3770 0.8780 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -0.2330 0.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -0.8420 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -2.3020 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -2.3620 -0.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -3.5550 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -5.0010 -0.5990 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -3.6100 -0.6900 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3010 -4.8420 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 -5.9460 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -7.1610 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 -7.2780 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -6.1800 -1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -4.9610 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2430 -8.5810 -1.4040 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8910 -9.5490 -0.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 -8.6850 -2.2080 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7800 -0.1440 -1.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 1.1160 -1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.5370 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 1.6220 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 1.3200 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -0.7970 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -2.7670 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -2.8340 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -1.5440 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -2.7960 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -5.8560 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -8.0200 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 -6.2750 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -4.1030 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 1.4680 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 1.8390 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.0000 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END