IFLAB-ZINC04504851 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.8520 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -2.1330 0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.0140 0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -1.1090 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -2.2410 -2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -2.4490 -3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -1.5150 -4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -0.3760 -3.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -0.1820 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -1.7320 -5.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -2.7250 -6.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -0.8280 -6.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -1.0420 -7.7470 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3020 -2.1060 -7.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 -0.2800 -8.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6620 -0.2390 -9.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -0.3200 -10.2850 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 0.9260 -10.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -1.5240 -11.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -0.4700 -8.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -2.9630 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -3.3330 -4.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 0.3510 -4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 0.6970 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -0.0350 -5.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 -0.7900 -7.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 0.7370 -7.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2490 -1.0960 -9.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1490 0.6910 -9.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 0.5070 -8.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -1.1610 -8.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END