IFLAB-ZINC04568850 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 1.3900 1.9280 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 3.0100 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 3.8660 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 2.8700 3.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 2.0500 2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 3.7930 4.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8470 3.2460 5.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 3.4870 4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 2.1230 4.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 0.9970 3.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 1.0750 3.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -0.3250 4.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 -0.5460 5.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2250 -1.8230 5.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -2.8880 4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -2.6640 3.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 -1.3910 3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -3.7770 2.7640 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2480 -4.9230 3.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 -3.5030 1.6060 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8550 5.2680 4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 6.2920 3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 7.6430 3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 7.9490 4.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 6.9700 5.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 5.6310 5.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 7.4780 6.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 8.8940 6.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 9.1970 5.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 2.4570 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 0.9540 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 1.7600 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 2.0750 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 3.5590 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 4.8410 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 4.0020 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 2.3010 4.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 3.8260 3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 1.8970 2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 1.0590 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 4.1300 4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 3.6900 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8790 2.0280 5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 0.2440 6.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7510 -1.9910 6.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 -3.8740 5.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -1.2230 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 6.0530 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 8.4270 3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 4.8900 6.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 9.3810 7.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 9.2990 5.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 2.7300 1.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 3.1710 3.1310 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7700 2.2260 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 53 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 54 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 54 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 54 1 M END