IBS-ZINC02128778 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.4840 1.9050 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 0.3950 -0.0770 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8170 0.2520 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -0.3270 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -0.7190 -1.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -0.4580 -2.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 0.0030 -2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 0.1170 -3.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -1.0470 -4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -1.1440 -3.6410 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9810 -0.5900 -4.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -2.6520 -3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.2970 -2.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -0.2450 1.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -1.1940 1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -1.4550 1.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -1.9020 2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -2.8760 3.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -3.5270 4.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -3.2040 5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 -2.2280 4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -1.5810 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -0.6050 2.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.3600 2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 0.0830 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.9460 0.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 2.1510 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 2.3480 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 2.4000 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -0.7630 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 0.9520 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 0.0750 -4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 1.0630 -4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -1.9590 -4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -0.8780 -5.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -3.1340 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -4.2860 5.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -3.7160 5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -1.9870 4.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -3.0750 -4.5200 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 40 -1 M END