IFLAB-ZINC04280323 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -2.5850 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 -1.8100 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 -3.9130 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -4.3930 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 -5.7170 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 -5.9450 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 -4.8010 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 -3.4140 0.0460 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.3400 -4.7260 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8580 -6.0780 -0.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 -7.2080 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7700 -7.3240 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8850 -6.2750 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2970 -7.3990 -1.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4540 -5.2250 -1.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5550 -5.5120 -2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0690 -4.2050 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -6.8010 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -7.2570 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 -7.2930 -1.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -4.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6790 -4.3860 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6880 -4.0400 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2370 -7.0340 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7550 -8.1280 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 -7.7260 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2190 -7.9870 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2110 -6.1720 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3600 -5.9960 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4130 -3.5440 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2640 -3.7200 -3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8960 -4.4200 -3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -6.9300 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 -8.0100 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 M END