IFLAB-ZINC02451263 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1070 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.5300 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.9280 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -2.6720 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0260 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -2.9610 -0.0290 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -2.4180 0.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -4.3280 -0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -2.6400 -1.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -1.2900 -1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -1.3380 -2.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 0.0720 -3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 0.0250 -4.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -1.0280 -4.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 -2.6130 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -1.8930 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3480 -2.5540 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3950 -3.7690 0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 1.1860 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.0490 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -3.7520 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -3.3470 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -0.6400 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -0.9010 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -1.9880 -2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -1.7270 -3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 0.7220 -3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 0.4610 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -3.6920 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -0.8140 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 1.1530 -4.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4900 -1.8340 0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2930 -2.3720 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 1.0730 -5.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 M END