IFLAB-ZINC05180998 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.7500 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -1.2060 3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -1.4290 3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -1.1760 2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -0.7200 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -1.5400 2.5610 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -1.9990 4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -1.8690 4.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 -2.4360 5.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -2.7370 6.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 -3.3870 7.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 -2.5130 7.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2820 -2.0560 6.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1690 -1.4580 5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2200 -2.1400 8.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -2.5260 9.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 -1.2430 8.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 -0.9750 10.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9720 -0.1240 10.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4540 0.2140 11.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5660 1.0360 11.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0540 1.3780 12.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4340 0.9010 13.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3260 0.0810 13.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8310 -0.2590 12.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -0.5830 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -1.3940 4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -0.5310 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 -1.8140 6.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -3.4210 6.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 -3.5080 8.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7950 -4.3600 6.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0380 -1.2970 6.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 -2.9010 5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5670 -1.2160 4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 -0.5530 5.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2580 -1.7300 8.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1990 -0.3000 8.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 -0.4880 10.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0560 -1.9180 10.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 1.4080 10.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9200 2.0180 12.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8170 1.1700 14.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8450 -0.2910 14.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9620 -0.8960 12.3980 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 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 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 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 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 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 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 M END