IFLAB-ZINC05250634 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.0320 1.3770 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.0030 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -0.7260 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -0.0470 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 1.3320 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 2.0430 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 2.0660 1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 2.3080 3.2080 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 3.2830 1.2140 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 1.2880 1.8030 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -2.2040 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -2.8310 1.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.8560 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -4.2520 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -5.0160 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -6.3920 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -7.0110 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -6.2470 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -4.8710 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -8.4060 0.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -9.1220 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -9.9490 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -11.0380 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -10.4030 2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -9.3020 0.9340 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -8.3540 1.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -10.0400 -0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 1.9380 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -0.5220 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -0.6010 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 3.1220 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -2.3580 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -4.5350 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -6.9870 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -6.7280 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -4.2770 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -9.7820 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -8.4020 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -10.4130 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -9.2950 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -11.5840 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -11.7260 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -11.1830 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -9.8260 2.9860 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 M END