IFLAB-ZINC02457208 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.1820 1.1630 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 0.1900 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -0.3800 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 0.0420 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 0.9990 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 1.5650 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -0.5950 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -1.7990 -0.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 0.1890 -0.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 -0.3830 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 -0.2470 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0240 1.1330 1.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 1.7710 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 1.5910 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 1.7470 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2430 0.9990 2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4210 1.5990 2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5820 2.9780 2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5690 3.7730 2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 3.1390 1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7390 5.2770 2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7770 5.9320 1.5980 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1760 1.6040 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -0.1280 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -1.1470 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 1.3010 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 2.3140 -1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 -1.4350 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6010 0.1620 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 -0.9140 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0360 -0.5790 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 1.2950 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 2.8380 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 2.1830 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 1.9600 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1470 -0.0770 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2090 0.9880 3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 3.4390 3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6270 3.7710 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8260 5.7720 2.5500 O 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 2 0 0 0 0 M CHG 1 22 -1 M END