IFLAB-ZINC04503829 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0240 1.5050 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.0020 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -0.6910 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -2.0430 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.7540 -0.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -2.1080 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -0.7050 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -2.8190 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -4.1480 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -4.7850 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -4.1020 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -4.6940 -0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -5.0770 -0.0190 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -6.7580 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -7.7520 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -7.3630 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -9.0740 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 -9.9980 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 -9.7240 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2130 -10.6350 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0220 -11.8250 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 -12.1040 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 -11.1950 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 -11.4690 1.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -12.7150 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0410 -12.7190 0.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2800 -12.3680 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 1.8820 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 1.8600 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8620 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -0.1390 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -2.5640 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -0.1880 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -6.9050 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -6.9030 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -9.3850 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 -8.7990 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1710 -10.4200 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 -13.0300 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -12.7540 2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -13.5340 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -12.8080 2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0050 -13.1650 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6550 -11.4420 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1230 -12.2270 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 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 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END