IFLAB-ZINC05145489 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 0 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0410 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -2.6320 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -2.7300 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -4.1110 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -4.9140 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 -6.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -6.5540 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -5.0650 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -7.9000 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -8.8710 -0.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -8.0660 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -9.4090 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -9.3960 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 -7.3360 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0410 -4.3800 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 -4.1520 -1.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6570 -4.1410 1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 -3.6510 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4890 -3.4240 0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5270 -3.4130 2.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8780 -2.8850 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4090 -2.6800 3.7540 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 -2.2570 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -9.9310 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -9.9200 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -10.4210 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -8.8740 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -8.8840 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 -7.5870 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -8.2260 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3390 -6.9650 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 -4.3230 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8730 -1.9310 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5210 -3.5890 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4140 -3.6350 4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7660 -1.9770 4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4230 -2.2840 3.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 M END