IBS-ZINC02292588 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -0.1970 1.3300 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -0.0710 -0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -0.5810 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 0.1440 2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -0.4850 3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -1.8660 3.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -2.6250 2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -1.9630 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -3.9910 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -4.0090 3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -2.7280 4.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -2.4490 5.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -5.1420 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -4.9780 0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -6.5430 2.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -8.9220 1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -10.0080 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -8.5340 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -7.5110 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -11.0230 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -10.9370 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -12.0620 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -13.4320 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -13.5380 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -12.4270 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 1.8920 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 1.5740 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 1.6260 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 1.2160 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 0.0880 4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -2.5230 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -4.8120 4.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -6.7100 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -6.5790 3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -9.1380 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -8.9830 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -9.8940 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -10.9850 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -8.4840 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -8.3500 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -6.5200 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -7.6810 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -10.7950 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -10.9660 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 -9.9920 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 -11.9900 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -11.9390 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -13.6080 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -14.2100 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -14.5140 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -13.4880 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -12.5400 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -12.5750 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -7.5790 1.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -9.9570 0.6810 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9030 -10.1550 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 54 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 55 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 43 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END