ASINEX-ZINC04770682 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.3680 1.3430 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -0.1380 0.2220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6790 -0.7340 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -2.1920 1.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4210 -2.6690 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -2.8520 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -4.2300 1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -4.8340 0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -4.0680 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -2.6980 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -2.0930 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.7420 0.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -2.3040 -0.2120 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7330 -3.3220 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -1.3720 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -1.5450 -2.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -0.3350 -1.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 0.5440 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 1.6370 -2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.2810 -3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 3.4640 -3.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 4.0370 -5.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 3.4290 -6.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 2.2320 -6.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 1.6690 -4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 1.6920 -7.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 0.4580 -7.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 3.9200 -7.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 5.1070 -7.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 -2.0690 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 -0.8680 0.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 1.9090 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 1.8280 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.4360 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -0.1890 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.6710 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -4.8360 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -5.9030 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -4.5390 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -2.1010 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -0.0780 -3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 0.9660 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 2.3990 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 1.2270 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 3.9470 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 4.9590 -5.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 0.7440 -4.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 0.1650 -8.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 0.5690 -6.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -0.3340 -6.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 4.9640 -7.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 5.9520 -7.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 5.3440 -8.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 -3.1200 0.4900 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 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 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 M CHG 1 54 -1 M END