PEAKDALE-ZINC01497648 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.2430 -0.6760 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -1.7930 0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8660 -2.0690 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -2.9940 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -3.8340 1.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -3.1440 0.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -2.2140 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 -2.1930 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 -1.2700 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -0.3660 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -0.3780 -2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -1.2980 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -1.3280 -1.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.9450 -2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -0.4830 -3.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -1.0860 -2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -1.6640 -3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -1.7920 -3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 -1.3490 -2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -0.7750 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -0.6470 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -1.4900 -1.9560 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3050 -1.9950 -2.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2860 -1.1010 -0.9680 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6990 -1.2430 -1.5020 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0140 0.0960 -1.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1110 -1.7880 -0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1110 -2.3750 -2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -0.4010 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 0.1930 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -1.0230 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -3.9050 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8760 -2.8970 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 0.3520 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 0.3280 -2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -2.0090 -4.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -2.2390 -3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 -0.4310 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -0.2030 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 -2.0140 -3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1940 -2.4200 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 -3.3700 -2.6310 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 13 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 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 25 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END