IBS-ZINC02097571 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 46 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 3 0 0 0 0 0 0 0 0 0 -1.0180 -0.3880 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -0.5220 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -1.9750 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -2.9630 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -2.8960 3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -4.0520 4.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -5.2350 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -5.3290 2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -4.1710 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -3.9150 0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -4.5640 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -2.6040 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.9260 -1.4830 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0340 -2.3600 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -0.4870 -1.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 0.2720 -2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 1.4850 -2.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -0.6400 -3.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2100 -0.8400 -3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -1.9740 -2.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2200 -2.8480 -3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -1.8440 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -1.1070 -2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 -0.3440 -3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -0.1140 -3.8160 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 1.6780 0.0560 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -0.4180 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -1.9790 3.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -4.0400 5.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -6.1130 3.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -6.2560 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -1.3160 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -2.8420 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 -1.2190 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 0.1680 -3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 -0.6100 -4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 0.9550 -3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 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 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 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 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END