IFLAB-ZINC00115369 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.2190 -0.6670 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 0.0010 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.3280 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 2.0600 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 2.0370 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 3.2520 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 1.3350 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 2.0000 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2120 1.4290 -0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2720 2.2250 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0030 3.5430 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2530 3.7490 -0.0420 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6590 1.6990 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8840 0.3240 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1760 -0.1620 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2480 0.7160 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0280 2.0840 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7400 2.5780 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5110 0.2370 -0.1160 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.9220 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.5620 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -1.7470 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 3.1390 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 0.3650 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 4.3380 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0490 -0.3620 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3520 -1.2270 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8670 2.7650 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5700 3.6450 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 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 26 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 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 27 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M END