IBS-ZINC02314770 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 0 0 0 0 0 0999 V2000 0.0240 0.9050 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -0.5380 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -1.1980 0.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -1.7540 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -1.7070 -1.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -2.3960 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -2.6750 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 -3.2290 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 -3.4810 -0.5870 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -2.8300 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -2.7450 -2.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -3.1330 -3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -3.6400 -3.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -2.8500 -4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -3.1010 -6.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -2.7390 -7.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 -2.4900 -7.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6830 -3.5680 2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5810 -3.2190 3.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7100 -4.3410 1.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6820 -4.7200 2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7420 -5.5600 1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -2.3930 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 1.4350 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 0.9630 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 1.4230 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -1.0720 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -0.5700 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -2.3430 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 -1.8040 -4.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -3.4820 -4.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -4.1580 -6.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 -2.5170 -6.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1980 -5.3040 3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1400 -3.8220 3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5090 -5.8760 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2200 -4.9960 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2940 -6.4500 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -1.3290 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -2.9690 3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 -2.6770 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4880 -2.7350 -8.4290 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 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 10 2 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 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 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 42 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 21 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 42 -1 M END