IFLAB-ZINC04850863 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -0.0820 1.3780 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.1220 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -0.8120 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -2.2070 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -2.9410 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -2.2430 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -0.8470 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -4.4640 -0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3210 -4.7910 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -4.9510 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -4.4260 0.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -5.1020 1.1850 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 -4.4190 2.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -6.5420 1.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 -4.5860 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 -3.2630 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 -2.8470 -1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 -3.7660 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 -5.0940 -2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 -5.5070 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0320 -3.3350 -3.6400 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3600 -2.1420 -3.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3150 -4.1900 -4.4910 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3340 -4.5440 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -5.1960 -1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -7.2440 -1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -6.6490 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -7.2490 -2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 1.7610 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 1.7520 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 1.7770 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -0.2630 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.7090 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -2.7660 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.3250 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -6.0420 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -4.6280 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -3.4200 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0410 -2.5540 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 -1.8180 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 -5.8190 -3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 -6.5430 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -3.4720 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -4.7080 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -4.7650 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 -4.9340 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -7.1020 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -8.3250 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -6.8580 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -7.0620 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -7.0740 -3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 -6.8380 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 -8.3310 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -5.1290 -1.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5630 -4.9240 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -6.6540 -1.8340 N 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 54 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 54 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 56 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 54 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 56 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 54 1 M END