IFLAB-ZINC04070866 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3610 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 1.2280 -0.6910 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.0950 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -2.7170 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -1.9950 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -0.6080 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 0.0530 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 1.4660 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 2.1060 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 2.2070 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 3.4230 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 1.5460 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 0.2020 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 -0.3460 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 2.3190 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 2.5810 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 3.3880 1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2620 3.6470 2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6010 3.2260 3.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3900 4.3440 3.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8180 4.5960 4.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1170 5.4030 4.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6530 6.6220 5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0270 6.8990 7.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3610 5.6670 7.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3060 4.7020 7.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9240 4.4020 6.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 1.8750 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 0.3940 -2.6820 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -3.7960 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -2.5150 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 3.1850 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 1.7570 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 3.2690 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 3.1430 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 1.6310 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5960 2.8260 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6570 4.3380 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9190 4.6800 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0440 5.1580 4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9830 3.6450 4.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8910 4.8410 3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9520 6.3530 3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3420 7.5500 5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5150 6.2110 5.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8840 7.5720 7.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1820 7.3600 7.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 3.7860 8.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4400 5.0990 8.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7740 3.9550 5.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0820 3.7100 6.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5460 5.6540 5.7980 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END