IFLAB-ZINC01020411 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0040 1.0660 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.4030 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -1.3430 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -2.7190 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -3.1010 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.2140 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.8340 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -3.0160 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -4.3370 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.3830 -0.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -5.5850 -2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -5.6480 -3.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -6.7070 -1.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -8.0360 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -9.0720 -1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -9.5600 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -10.4900 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -10.9280 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -10.4440 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -9.5140 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -12.1210 2.0460 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -11.8110 2.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -11.7720 2.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -13.5500 1.3500 N 0 5 0 0 0 0 0 0 0 0 0 0 1.0170 -13.6380 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -2.5440 -3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 1.4240 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 1.6360 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 1.2680 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -1.0060 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -3.4510 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.1100 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -6.5800 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -8.1600 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -8.1310 -3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 -9.2130 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -10.8680 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -10.7840 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -9.1300 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -2.8940 -4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -2.9200 -4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -1.4510 -3.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 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 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 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 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 24 -1 M END