IFLAB-ZINC05143568 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8490 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -2.6790 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -4.0530 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -4.6100 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -3.7870 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -2.3980 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -1.5880 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -4.3820 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 -3.5780 0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5810 -4.0700 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7490 -5.4550 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 -6.2720 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 -5.7050 0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 -7.5820 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4000 -7.5710 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1070 -8.5600 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8450 -6.3000 0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7750 -6.0240 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2430 -8.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -8.5980 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -9.7260 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 -10.9820 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 -11.1120 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 -9.9870 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 -12.4830 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -12.2120 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7540 -3.1650 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8770 -3.6270 0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5740 -1.8300 0.0640 N 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -2.2500 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -4.6940 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -5.6840 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -1.3480 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -7.6170 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -9.6280 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 -10.0890 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 -12.8190 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6110 -12.4400 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -13.1800 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -12.5140 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 -13.0200 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -11.9910 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6770 -1.4600 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3420 -1.2370 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 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 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END