IFLAB-ZINC04078127 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3300 0.0090 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 1.6840 -0.5270 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 1.1020 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 1.8950 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 1.5160 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 2.8310 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 3.6530 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 3.2790 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3310 5.0920 -0.0210 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0620 5.4240 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0130 4.5360 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2030 4.9520 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3960 6.2360 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8150 7.0200 -0.0410 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6310 6.8800 -0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 6.1570 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7160 4.9450 -0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1050 6.8540 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3580 5.9770 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9710 6.7340 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -0.6500 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2420 0.8580 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 2.8920 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 2.9020 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6730 7.8490 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1410 7.7940 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2170 4.8960 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2200 6.3410 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5770 7.5960 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5740 6.1520 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 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 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 M END