IBS-ZINC04983780 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8230 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -2.6700 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -4.0220 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -4.5780 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -5.9690 1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 -6.4180 2.7980 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -5.5900 3.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -4.2790 3.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -3.7260 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -2.3380 2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 -6.1290 4.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -5.2970 5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 -3.0870 6.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -3.6850 7.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 -5.1160 7.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 -5.5980 8.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -5.8490 6.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -6.9230 0.7240 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 -1.0200 -0.3810 0.0100 H 0 0 0 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 -0.2640 -2.2450 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -4.6640 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -1.6760 3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -7.0920 4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -2.1450 6.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.9070 6.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -3.1070 8.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -3.6620 8.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -6.7650 6.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -7.1380 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -7.8490 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -6.4720 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -4.0130 5.6040 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 20 1 0 0 0 0 15 39 2 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END