IBS-ZINC02274687 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 40 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 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.3080 -2.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -1.8120 -1.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -2.2850 -2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -3.7920 -2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -4.4100 -1.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -4.4520 -3.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -5.9170 -3.7010 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2600 -6.2840 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -6.4060 -4.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -5.9870 -3.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 -6.5680 -4.8720 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 -5.9850 -3.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -6.4330 -4.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -5.6580 -4.6680 O 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 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 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 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 0.4930 -2.4510 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -1.9240 -3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -1.9070 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -3.9570 -4.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -7.4930 -4.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -5.9670 -5.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -4.9010 -3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -6.4270 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -6.2820 -4.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4510 -4.8980 -3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 -6.4240 -2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -7.7550 -4.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -8.0390 -4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 40 41 1 0 0 0 0 M END