CHEMDIV-ZINC04972013 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 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 3 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.5700 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 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 -2.1190 -0.0610 1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 0.0490 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -0.2420 0.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 0.5350 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6770 0.5680 2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3930 1.0290 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 2.3160 3.9140 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 2.4190 4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 1.9420 2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8030 3.6250 4.1780 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 4.7760 4.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9850 3.4020 3.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2830 3.5840 5.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8810 4.5700 6.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 4.5570 8.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0220 3.5550 8.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4550 2.5210 7.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0870 2.5350 6.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 1.5560 5.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2510 0.5770 5.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6540 0.5060 7.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2560 1.4680 8.2020 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 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.4020 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -3.6600 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.2190 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -2.4410 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 0.1720 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 -0.1390 3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8960 1.2610 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0220 -0.4300 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4570 1.1490 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2500 0.2900 4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 3.4570 4.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 1.7930 4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 1.9230 2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 2.6230 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2670 5.3750 6.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 5.3510 8.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3000 3.5560 9.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5660 -0.1960 5.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2720 -0.3140 7.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5570 1.4280 9.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 25 2 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 M END