IFLAB-ZINC04270400 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0840 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7730 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0760 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.7710 -2.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -4.0760 -2.6220 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -4.5330 -3.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -4.9020 -1.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -3.4810 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -3.0730 -3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 -2.6160 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2200 -2.5940 -2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 -2.9750 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -3.4340 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -2.7660 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 -2.2360 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5590 -2.2160 -2.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 -1.9520 -3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4160 -1.4180 -3.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8270 -2.3370 -4.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 -2.0950 -4.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6250 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.8530 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1420 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -2.4880 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -3.1140 -4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -3.7520 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 -3.7100 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 -2.0300 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6940 -2.9040 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 -1.2300 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0330 -3.3940 -4.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3630 -1.7550 -5.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 -1.0240 -4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -2.6010 -5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END