IFLAB-ZINC05155113 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -0.6610 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.0150 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 1.3340 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 2.0590 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 2.0580 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 2.3580 -1.7310 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 3.1920 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 3.6090 -2.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 3.4470 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6420 4.2490 -2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3180 4.6300 -3.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0670 4.4690 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 4.0290 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 3.4070 -0.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7170 4.2520 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9430 4.9250 1.4830 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 5.0210 2.1330 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8540 3.0180 2.1130 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.9230 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.5640 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -1.7410 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 3.1380 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 3.0110 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 1.4500 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9980 4.9780 -0.7860 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 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 14 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 M END