IFLAB-ZINC03124311 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 1.8070 -1.2180 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -2.5490 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -2.3040 0.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -3.3830 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -4.5000 0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -3.2230 0.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -4.4160 0.2030 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.5400 -5.5970 0.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -4.4700 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -5.2650 -2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -5.3080 -3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -4.5550 -3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6050 -3.7610 -3.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 -3.7220 -1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 -2.8750 -0.7030 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.8730 -2.5130 -0.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -2.5400 0.2830 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4250 -4.3190 1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 -5.4450 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -6.4820 2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 -7.6260 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7170 -7.7370 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1180 -6.7040 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 -5.5560 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5390 -8.9630 1.6020 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.1870 -9.8740 2.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5680 -9.0620 0.9580 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8510 -1.4050 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.7020 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -0.5990 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -3.1680 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -3.0650 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -5.8530 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 -5.9280 -4.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 -4.5880 -4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 -3.1730 -3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -6.3960 2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 -8.4340 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0300 -6.7940 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 -4.7490 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 18 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 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 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 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 25 1 M CHG 1 27 -1 M END