IFLAB-ZINC04275722 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -0.5970 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -1.9510 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.8750 -2.5520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -1.7760 -3.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.1920 -2.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 0.5850 -3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 0.8760 -4.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 2.0170 -5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 2.8800 -5.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 2.5810 -4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 1.4330 -3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 4.1040 -5.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 4.3630 -6.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 4.9350 -5.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 6.0830 -6.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 6.9930 -6.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 8.0970 -7.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 8.0090 -8.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 6.5630 -7.6590 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 6.8600 -5.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 5.9020 -4.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 7.7980 -5.3460 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -0.5200 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 0.2030 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -2.7510 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -2.0410 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -2.0280 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 0.2080 -4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 2.2430 -5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 3.2440 -3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 1.1980 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 4.7290 -5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 8.9100 -7.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 8.7320 -8.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 8.5620 -5.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 7.7110 -4.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 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 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END