IFLAB-ZINC04059542 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 36 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.2150 -0.6660 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 0.0030 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.3300 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 2.0610 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 2.0400 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 1.3860 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 2.5830 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 3.8760 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 3.3640 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 5.2340 -0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 5.6510 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4270 4.8380 -0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 7.0940 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 8.0350 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0600 9.3650 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3940 9.8280 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4340 8.8880 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1520 7.5280 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9610 9.7660 -0.0350 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1310 11.2570 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8620 11.0880 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.9240 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 1.2330 -1.7460 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 3.1410 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 0.3140 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 5.8830 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 7.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 10.0760 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9580 6.8080 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6160 12.2220 -0.0190 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 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 27 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 15 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 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 M END