IFLAB-ZINC04940888 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2850 -0.0870 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -2.0370 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -0.1040 1.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 0.2960 2.5560 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 0.6550 2.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 1.2450 3.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -1.2460 3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -1.0040 4.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.2500 5.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -2.2760 6.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -1.2660 7.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 -3.5340 7.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -3.5640 8.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -4.7410 9.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -5.8890 9.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -5.8660 7.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -4.6940 7.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -2.4610 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -2.3980 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -2.3400 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.0690 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -1.5840 3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 -2.0090 2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 -0.6670 4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -0.2420 5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -3.0560 5.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 -2.6690 9.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6190 -4.7660 10.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -6.8080 9.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -6.7650 7.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 -4.6760 6.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 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 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 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 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 M END