IFLAB-ZINC04262870 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4300 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.6840 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -0.1160 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9150 -0.9760 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6070 -2.2370 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 -2.4330 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 -3.2770 -0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 -3.0100 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2330 -1.8580 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 -4.1180 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1930 -3.8410 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 -4.8740 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6590 -6.1980 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2900 -6.4750 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3790 -5.4420 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6070 -7.2720 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3580 -8.1230 -0.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9880 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0690 0.9530 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -4.1960 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5360 -2.8180 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1620 -4.6600 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9460 -7.4980 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3200 -5.6560 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 29 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 20 2 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 3 0 0 0 0 M END