IFLAB-ZINC04061297 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 34 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.2150 -0.6660 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 0.0030 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.3300 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 2.0610 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 2.0400 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 1.3880 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 2.5830 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 3.8790 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 3.3690 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 5.2350 -0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5630 5.6600 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 6.8920 -0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2630 7.1480 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9200 8.3970 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2900 8.4620 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0520 7.3000 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4310 6.0690 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0400 5.9870 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9610 4.5940 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4010 7.3770 -0.0760 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.9240 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.5620 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -1.7460 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 3.1410 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 0.3160 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 5.8860 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3400 9.3080 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7810 9.4240 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0240 5.1670 -0.0730 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 M END