IFLAB-ZINC02712764 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0620 1.3280 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.0040 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -0.5860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -1.5950 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 0.1190 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -0.4330 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 1.4840 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 2.0330 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 2.1600 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 3.3810 0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -0.9130 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -1.2960 -1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -1.0550 -2.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -1.9450 -1.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -2.2460 -2.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 -3.7390 -3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 -3.8820 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 -2.3860 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -5.6540 -2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4010 -5.7640 -1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0780 -4.5440 -1.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0160 -4.6670 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 1.8450 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -1.8270 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -0.4020 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -1.6630 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -1.9270 -3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -3.9340 -3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -4.3410 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -4.4910 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 -4.1730 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -2.1970 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -1.7940 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -6.3080 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0050 -5.8650 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9330 -6.6150 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -5.8620 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 -4.2030 -1.9020 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.4790 -3.7180 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 38 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 38 1 M END