IFLAB-ZINC04078042 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0060 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.6820 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0330 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4280 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0920 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.6850 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -1.9010 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 0.0080 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0670 -0.6690 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -1.9580 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4050 -2.4050 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3790 -1.5420 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 0.0730 -0.0620 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -1.9200 -0.0990 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 -3.7340 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5460 -4.2200 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4590 -3.4220 -0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8070 -5.5430 -0.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1260 -5.9950 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1630 -5.2810 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4640 -5.7290 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7350 -6.8900 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7030 -7.6040 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4000 -7.1630 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0080 -7.3270 -0.6120 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9020 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7620 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 1.9870 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1720 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 0.9770 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 -4.1050 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 -4.1000 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0800 -6.1810 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9520 -4.3750 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2700 -5.1730 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9160 -8.5100 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 -7.7220 -1.4100 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 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 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 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END