IFLAB-ZINC02712696 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.1310 2.4540 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 0.9400 0.5680 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1760 0.7920 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 0.1840 -0.6190 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2510 -0.8520 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 0.1370 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -1.0420 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1030 -1.1220 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -0.0290 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 1.1480 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 1.2330 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 0.7310 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 1.2600 -3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 0.4450 -4.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.1200 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 0.9900 -6.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 0.3750 1.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -0.7480 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -1.6340 1.8940 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.0240 3.6720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -1.8120 4.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -2.2790 5.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -3.0320 6.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -3.3180 7.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -2.8420 6.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -2.0910 5.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -1.5170 5.3450 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 2.7110 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 2.9230 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 2.9130 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -1.9120 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -2.0400 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -0.0920 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 2.0010 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 2.1700 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 1.4050 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -0.2880 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 1.2210 -3.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 2.3150 -3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 1.4520 -4.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -0.1890 -5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -1.1570 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -0.0670 -3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 2.0210 -6.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 0.9610 -6.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 0.3670 -6.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 0.8690 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -0.6100 3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -2.0490 4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -3.3870 6.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -3.9010 8.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -3.0580 7.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 0.7050 -2.0160 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5400 1.6660 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 0.4710 -4.7000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 53 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 53 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 55 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 53 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END