IFLAB-ZINC04392158 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -4.9040 -0.0070 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -6.6520 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -7.4990 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -8.8530 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -9.3080 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -8.4310 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -7.1640 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -10.7570 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -11.3260 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -12.6400 -0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -13.2180 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -12.0520 -0.0340 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -14.7100 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -10.5230 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -7.0980 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 -9.5490 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -15.0750 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -14.9400 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -15.1940 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -10.3340 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -11.0800 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -9.5740 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END