IBS-ZINC02286140 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.3690 1.2440 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -0.1230 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -0.6830 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 0.1500 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 1.5140 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 2.0610 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 2.3960 1.3420 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6280 1.9170 2.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 3.6020 1.1710 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2620 -2.1400 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -2.8540 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -4.3240 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -4.9400 -0.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -4.9880 1.2710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -6.4510 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -6.7910 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -6.1460 3.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -4.7190 3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -4.2720 2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -2.1950 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -2.9070 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -4.1200 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -2.2200 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 -2.8280 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 -1.9440 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 -0.6550 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 -0.4800 -0.4420 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 1.6780 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -0.7590 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -0.2750 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 3.1300 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -2.6390 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -6.9110 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -6.8190 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -7.8700 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -6.4410 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -4.3070 4.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -4.3620 3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -3.1980 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -4.5090 2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -1.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -3.8980 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8130 -2.2650 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1170 0.1660 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 20 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 19 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 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 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END