IFLAB-ZINC04553867 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.4970 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.5200 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -0.3990 -1.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -0.0420 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.8250 -2.7390 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7120 -1.8940 -2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -0.4580 -2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 -1.3110 -2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 -0.7440 -3.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 0.5700 -3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 1.1590 -3.2510 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -0.4150 -4.2540 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -0.9240 -4.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 0.9300 -4.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -1.3770 -5.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -2.6140 -5.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -3.1730 -6.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 -2.3900 -7.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -0.8510 -6.4940 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -0.8660 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 1.0260 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -0.2880 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3640 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4300 -1.3210 -2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3840 1.1780 -3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -3.1400 -5.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -4.1680 -7.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -2.6580 -8.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 M END