IFLAB-ZINC02694936 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0410 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -2.6320 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -2.7300 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -4.1150 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -4.8360 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -6.1760 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -7.1720 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -8.5000 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -8.8860 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -7.9330 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -6.5790 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -5.1390 0.0200 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -10.5970 -0.0270 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -10.6850 -0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -11.2830 -0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -11.0820 1.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 -10.9980 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -12.3730 2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -12.8400 3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -12.9710 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -11.6090 2.2530 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 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 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 -2.2570 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -6.8860 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -9.2520 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -8.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -10.2630 3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 -10.7060 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 -12.3020 3.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 -13.0880 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -12.1120 4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 -13.8070 4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -13.3260 3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -13.6810 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -11.7180 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -10.9240 3.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END