IFLAB-ZINC02720100 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -0.6590 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -0.0440 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -2.0700 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.7250 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -4.1650 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -5.3090 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -6.5460 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -6.6730 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -5.5580 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -4.2870 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -3.0210 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -2.8240 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -2.0120 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -0.6980 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 0.1880 0.0420 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -1.1940 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 -0.6600 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 0.5370 0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3160 -1.5130 0.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7000 -1.0160 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4840 -1.7160 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3150 -3.1310 -0.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9650 -3.5750 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -2.9690 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -5.2180 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -7.4300 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -7.6570 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -5.6680 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -1.7980 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -1.8080 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1560 -1.2400 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7060 0.0610 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5420 -1.4670 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1090 -1.3880 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9300 -4.6620 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5850 -3.2530 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 -3.1850 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3960 -3.3940 1.0280 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 16 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 15 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 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END