IFLAB-ZINC04248468 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.4730 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0340 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -0.7050 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -2.1100 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -2.7930 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -2.1330 0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -0.7620 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -0.3850 0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -1.4690 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -2.5660 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 -1.4680 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -0.6290 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 -0.6290 1.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3780 0.0500 2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7570 0.6620 3.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8520 0.0510 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5760 -0.5410 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9650 -0.5390 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6660 0.0350 2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9980 0.6520 3.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5820 0.6690 3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9140 1.2770 4.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6330 1.8420 5.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0250 1.8220 5.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7080 1.2500 4.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8500 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8210 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8370 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -0.1600 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -2.6450 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -3.8730 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -3.5940 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 -1.0420 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 -2.4910 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -1.0550 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 0.3930 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2130 -1.1170 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0550 -1.0060 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5040 -1.0070 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7450 0.0160 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8340 1.2990 4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1160 2.3110 6.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5730 2.2760 6.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7880 1.2420 4.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END