IFLAB-ZINC04304835 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 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 0.8790 -0.6050 1.4720 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -0.2900 1.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.3250 2.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.3600 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -3.0880 0.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -4.3980 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -5.5790 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -6.7790 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -6.8390 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -5.6860 1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -4.4580 1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -3.1530 1.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -2.7060 2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -2.4320 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -2.5940 0.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 -2.0060 2.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8240 -1.7070 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 -1.2650 2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -1.3510 3.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -1.7910 3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -1.9540 4.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -1.6840 5.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 -1.2500 5.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7510 -1.0770 4.8730 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 2.8860 -5.5440 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -7.6900 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -7.7950 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -5.7380 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -3.4830 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -1.7950 3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -0.9010 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -2.5980 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -0.2410 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7720 -1.9400 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -2.2930 4.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -1.8120 6.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -1.0400 6.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7690 -0.7390 4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 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 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END