IFLAB-ZINC05251547 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 -0.0110 1.5180 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.0120 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -0.5130 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -0.5220 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -0.1440 2.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -0.4900 3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -1.1140 3.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -0.1040 4.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 0.5200 4.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -0.4500 6.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -0.0080 7.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 0.1180 7.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 0.5550 8.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 0.8680 9.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 0.7440 9.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 0.3020 8.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 1.0800 10.7470 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2320 1.4650 11.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 0.9710 10.7460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0140 1.8880 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 1.8820 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.8750 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -0.3820 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.1430 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -1.6020 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -0.1490 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -1.6080 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -0.0820 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 0.3550 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -1.0060 6.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -0.1260 6.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 0.6530 8.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 1.2100 10.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 0.2020 8.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END