IFLAB-ZINC04167301 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 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 2.4020 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4260 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -0.6890 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 -0.0350 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 -0.7620 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 -2.3970 -0.0600 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 -1.9970 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6070 -0.1880 -0.0710 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4850 -1.7700 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9710 -1.5200 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3950 -0.3840 -0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8300 -2.5590 -0.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1960 -2.3290 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0960 -3.2490 -0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3890 -2.8670 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5480 -3.6720 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7930 -3.0980 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9340 -1.7170 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8180 -0.9120 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5450 -1.4780 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9460 -0.7380 -0.1310 S 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 1.2190 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9840 -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 8.2210 -2.3410 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2040 -2.3340 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4910 -3.4680 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4530 -4.7480 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6720 -3.7250 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9190 -1.2750 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9290 0.1630 -0.1490 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 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 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 M END