IFLAB-ZINC04251307 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3740 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 1.2140 -0.6840 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 0.0240 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 1.4020 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 3.5690 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 4.2850 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 5.6660 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 6.2610 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 5.5030 0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 4.2210 0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 8.0170 0.0360 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 8.2750 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 9.7520 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 10.5530 0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 10.1850 0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 11.5480 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 12.0680 0.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 13.3850 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 14.0080 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 12.7820 0.0910 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -2.0850 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -2.8870 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -4.1600 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -4.1420 -0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -2.9050 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9020 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 3.3500 -0.5070 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 1.9520 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 3.7740 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 6.2660 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 7.8220 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 7.8130 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 9.5440 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 13.9160 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 15.0780 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -2.5600 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -5.0440 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.5860 0.0080 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 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 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 27 41 1 0 0 0 0 M END