IFLAB-ZINC04139194 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.0600 2.0810 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 0.5970 0.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3510 0.5180 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -0.2930 -0.9850 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0340 0.1140 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -0.1990 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 0.3460 -2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.2770 -1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -0.3190 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -0.7920 0.1850 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -2.7120 -1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -4.1080 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -4.0930 -2.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -3.2450 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -1.8010 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 0.2380 1.5510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -1.0170 2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -2.0430 1.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -1.0660 3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -0.0320 4.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -2.3080 4.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -2.5540 5.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -2.4990 6.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -3.6610 6.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -3.6000 7.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -2.3780 7.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -1.2150 7.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -1.2740 6.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 2.2930 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 2.3980 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 2.7040 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 0.7820 -2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 0.6490 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 -0.4990 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -2.7500 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.3290 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -4.7930 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -4.5070 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 -3.2950 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -3.6290 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -1.4080 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -1.1800 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 0.9700 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -3.0740 3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -3.5430 5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -1.8240 5.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -4.6240 6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -4.5070 7.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -2.3320 8.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -0.2620 7.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -0.3560 6.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -1.7320 -0.9670 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1240 -2.0590 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 52 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 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 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END