IFLAB-ZINC04159257 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 0.3000 1.6020 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 0.2480 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -0.5440 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 0.0190 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 1.3780 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 2.1660 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 -0.8530 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -2.0710 0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 -0.1020 0.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1680 -0.8220 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2710 0.1800 -0.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9430 0.7830 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6460 -0.4320 -0.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0730 0.0690 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5140 -0.1470 0.8140 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5330 0.0920 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8630 1.1800 1.2720 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2410 1.9940 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4480 1.1090 0.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0610 1.6010 2.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3640 1.1610 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7560 1.7510 4.8590 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7600 2.5880 4.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9700 2.5210 3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8710 3.2110 2.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6010 4.0090 3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 4.1740 4.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1100 4.8190 4.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5830 3.4870 5.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5050 3.6530 6.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3400 -1.1650 1.6570 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6160 -1.8320 -0.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8880 -2.1590 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 2.2170 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -0.1930 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -1.5990 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 1.8400 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 3.2190 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3390 -1.2750 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 -1.5970 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5910 0.4080 3.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3830 4.6360 2.6120 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 38 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 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 31 -1 M END