IBS-ZINC02273160 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.0470 1.5770 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 0.0600 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.4620 1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -1.9880 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -2.5100 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -4.0390 2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 -4.5540 3.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -4.8680 4.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -4.5900 4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -4.9320 6.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -5.5630 7.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -5.8440 7.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -5.4910 5.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 -5.8070 5.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -6.5790 6.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 -5.1400 4.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0340 -5.8770 4.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 -4.7030 3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -4.4660 2.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 -3.9280 5.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 -3.0340 5.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 2.0350 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.9270 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 1.9290 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -0.3670 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.2610 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -0.0300 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.1350 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -2.4200 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -2.3150 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -2.0770 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -2.1740 3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -4.5130 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -4.3430 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -4.0880 4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -4.7010 6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -5.8290 7.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -6.3310 7.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -3.9530 5.6430 O 0 5 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 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 M CHG 1 39 -1 M END