IFLAB-ZINC00552187 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4270 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0930 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6870 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 0.0230 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0980 -0.6900 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 -0.1000 -0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 -2.0390 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8840 -2.5470 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -2.6880 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -2.0260 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -4.4500 -0.0650 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -4.7380 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -6.2200 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -7.0050 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -6.6740 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9850 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 1.1030 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -4.2930 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -4.2840 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -6.0470 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -7.6290 -0.0480 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 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 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 25 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 13 1 0 0 0 0 13 14 2 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 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M END