IFLAB-ZINC04330188 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.2300 -0.6470 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 0.1100 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 1.4270 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 2.0720 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -2.1520 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -2.6330 -1.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -2.7980 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -3.2430 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -3.5230 -3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -3.3480 -3.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -2.9140 -2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -2.7650 -1.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -4.1040 -5.6190 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -4.2760 -5.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -4.7750 -7.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -4.9930 -8.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -4.9800 -7.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -5.4400 -8.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -5.6690 -9.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -6.1050 -10.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -6.2510 -11.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -5.7800 -10.1010 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -3.3510 -3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 -3.3270 -2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -2.5620 -1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 1.9170 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -0.5700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -0.3840 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 3.1520 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -2.4750 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -2.5610 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -4.9870 -5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -3.3080 -5.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -4.8060 -7.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 -6.3250 -11.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -6.5940 -12.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 -4.2880 -4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -2.5040 -4.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 -4.3380 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 -2.7870 -2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -1.4980 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -2.9610 -0.5850 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 7 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 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END