IFLAB-ZINC04087917 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -0.9500 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4580 -1.6850 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9970 -1.9860 -0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 -2.0090 -2.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -2.6890 -2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9280 -3.0680 -1.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0150 -3.6760 -1.8420 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3810 -3.8810 -3.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1410 -3.1970 -4.1250 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8500 -4.7030 -3.5960 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6480 -5.1500 -2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9400 -5.8720 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2880 -6.0670 -3.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7080 -6.3020 -1.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9700 -7.0090 -1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0970 -6.3010 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7250 -6.2020 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4460 -5.3760 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3030 -6.0690 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1100 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.6640 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -1.5470 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 0.0070 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 -1.7690 -3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8550 -4.2460 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9860 -5.7990 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8900 -8.0400 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1840 -6.9930 -2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0210 -6.8690 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2370 -5.2990 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5610 -7.2030 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5360 -5.7210 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1940 -5.2870 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6010 -4.3840 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4180 -5.4340 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0840 -7.0220 0.5820 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 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 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 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 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END