IBS-ZINC02414098 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 0 0 0 0 0 0999 V2000 -0.1120 1.5010 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 0.0080 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -0.5150 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -1.8840 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -2.7300 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.2070 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.8380 -1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.2680 -3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -4.4750 -0.0540 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -5.0250 -1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -4.6870 1.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -5.0090 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -4.9040 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -5.3620 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 -5.2670 -2.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 -4.7340 -3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 -4.6230 -4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -4.0780 -5.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -3.6280 -5.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -3.7210 -4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -4.2770 -3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -4.3740 -2.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -5.9130 0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -6.2590 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 -7.3510 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2570 -7.6940 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2030 -6.9490 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8050 -5.8540 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 -5.5080 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7190 -5.1070 -1.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0030 -5.7020 -1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4740 -6.3210 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5150 -7.3070 0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 1.8910 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 1.7250 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 1.9650 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 0.1460 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -2.2930 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.8680 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -0.1000 -3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -0.9690 -3.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 0.6780 -3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -5.3950 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -4.9680 -4.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -3.9940 -6.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -3.1990 -6.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -3.3680 -4.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -6.0580 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -7.9330 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5670 -8.5440 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1530 -4.6560 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7120 -4.9390 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9270 -6.4770 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5440 -5.5470 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4470 -6.7910 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M END