IFLAB-ZINC04331247 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7090 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1040 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7030 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9910 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6680 -1.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6510 -2.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.0630 -3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -3.0480 -4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -4.2750 -3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -4.0380 -2.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -2.8620 -6.0140 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0360 -1.7390 -6.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -3.8320 -6.7510 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0630 -2.8530 2.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.2920 2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -5.0800 3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -4.7390 4.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -3.3000 4.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -2.5110 3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -5.4950 5.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -5.3220 6.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -6.0680 7.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -6.9910 7.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -7.1650 6.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -6.4240 5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -7.7260 8.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1930 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -1.0010 -3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -5.2500 -4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -4.5660 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -4.5220 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -6.1480 3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -4.8260 3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -3.0700 5.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -3.0250 4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -1.4430 3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -2.7650 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -4.6020 6.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -5.9340 8.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -7.8830 6.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -6.5620 4.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -8.5630 8.7660 H 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 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END