IFLAB-ZINC04280329 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8440 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.5710 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -2.3760 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -3.8330 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -4.2440 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 -3.3030 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -2.1000 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3750 -1.2990 1.6190 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 -2.6050 2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8650 -3.6060 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 -4.8600 3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -4.9480 4.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6050 -5.9180 2.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6530 -7.1280 3.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9170 -2.6480 3.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7710 -1.6060 3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5560 -0.6310 2.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9940 -1.6530 4.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -1.5170 0.0380 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 -3.5960 -4.1110 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -4.3340 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -5.2650 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -4.1860 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2040 -7.8980 3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6390 -7.4760 3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1530 -6.9190 4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0890 -3.4290 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7520 -1.2410 5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7910 -1.0650 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3220 -2.6870 4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -0.5060 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -1.4990 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 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 22 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 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 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END