IFLAB-ZINC04062864 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 0 0 0 0 0999 V2000 -0.4860 1.5420 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 0.1370 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -1.6290 -1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -2.1000 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -1.2760 -3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -0.7630 -2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -2.8550 -5.1760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7670 -2.0640 -5.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -3.0450 -6.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -3.3080 -7.5740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -2.3210 -8.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -1.1480 -8.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -2.7970 -9.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -3.9850 -9.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -1.7910 -10.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -2.0230 -11.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -1.7880 -12.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -0.5980 -13.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -0.4140 -14.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -1.4320 -14.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -2.5930 -13.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -2.7430 -13.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -4.1530 -5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -4.2460 -5.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -5.4490 -5.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 -6.5290 -4.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -6.4850 -4.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -5.3030 -4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 2.1990 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 1.5540 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 1.9680 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 0.1620 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -0.5530 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -2.4050 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -1.3290 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -1.3220 -3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -2.9800 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -1.5600 -4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -0.4500 -4.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 0.1430 -2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -1.5190 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -3.8710 -5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -2.1380 -6.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -4.2440 -7.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -0.8510 -10.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -1.3420 -11.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -3.0450 -11.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 0.1900 -13.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 0.5000 -15.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -1.3350 -15.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -3.6860 -12.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 -3.3890 -6.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 -5.5420 -5.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -7.4900 -4.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -5.3060 -4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -0.4130 -1.6570 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9690 0.3090 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -2.4310 -3.8240 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 56 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 58 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 58 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 6 56 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 58 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 13 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 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 28 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END