IFLAB-ZINC05154872 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3060 0.0090 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 1.3170 -0.7400 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -1.6760 1.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -2.4470 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -2.3660 0.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -3.4100 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -4.2930 2.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 -5.3190 3.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -6.1740 4.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 -6.2120 3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -6.9670 5.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6330 -7.7360 5.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5570 -6.8920 6.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 -6.0040 5.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -5.2390 4.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -5.9000 6.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -5.0080 5.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -4.9150 6.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -5.7050 7.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -6.5920 8.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -6.6980 7.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 1.8580 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8330 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -1.2910 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.0240 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -1.7400 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -2.8580 3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -4.1250 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -7.5140 6.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -4.3900 5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -4.2240 6.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -5.6280 8.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -7.2060 9.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -7.3940 7.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 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 31 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END