IFLAB-ZINC00943326 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1860 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.0190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4240 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.0980 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 1.8220 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 2.7360 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 0.6950 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.3600 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 0.6730 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -0.1680 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9390 -0.1910 1.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6120 -0.8750 2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0040 -1.4730 2.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1180 -0.8980 2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6260 -1.7390 3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0910 -1.7620 3.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8720 -0.8680 3.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4800 0.0710 4.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2860 -1.2200 3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 -0.6770 3.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6830 -1.2690 3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6580 -2.3970 2.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4510 -2.9520 2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2610 -2.3700 2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8330 -2.6810 2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4000 -3.6100 1.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4330 -4.1590 1.5100 N 0 3 0 0 0 0 0 0 0 0 0 0 16.4800 -4.6680 1.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3700 -4.6440 1.1640 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -1.7650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.1780 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 0.2380 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 1.6900 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 0.2660 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0950 -1.1860 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 0.2870 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4660 -1.3330 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4980 0.1200 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2780 -1.3040 4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2470 -2.7570 3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5260 0.2050 4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6300 -0.8460 3.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5860 -2.8490 2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END