IFLAB-ZINC04272440 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 1.2440 -0.6430 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.0780 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 1.3610 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 2.0520 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 3.5350 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 4.2250 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 5.6050 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 6.2700 0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 5.6580 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 4.2800 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -2.4030 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -2.7230 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -4.2100 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -4.9780 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -4.6870 -0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -6.0580 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 -6.6190 -0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0420 -7.9390 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 -8.5200 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -7.2510 -0.0620 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 1.9230 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -0.5730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 3.6860 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 6.1470 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 6.2430 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 3.7860 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -2.2770 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -2.2860 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3700 -4.0720 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 -8.5020 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6510 -9.5840 -0.0910 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 13 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 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 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 M END