IFLAB-ZINC05143708 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 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 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.1030 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -0.5370 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -1.9160 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -2.6670 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -2.0210 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -4.1490 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -4.8380 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -6.1710 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -6.8300 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 -6.0570 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -4.7390 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 -6.9480 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 -8.2000 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 -9.2180 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -8.1560 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -8.9230 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 -6.6060 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2730 -7.4800 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5320 -6.9030 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5400 -5.5700 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8890 -4.9660 0.0470 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -6.9380 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -8.1520 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -6.2870 -0.0440 N 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 -2.3310 1.1820 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0430 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 -2.4130 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.5980 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 -8.5490 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4390 -7.4890 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4280 -4.9540 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -5.3170 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -6.7890 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 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 11 12 1 0 0 0 0 11 25 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 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M END