IFLAB-ZINC04393626 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 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 -0.0350 0.0730 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.7710 -2.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -3.2120 -3.1490 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7870 -2.3520 -3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -4.1630 -2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -5.8140 -2.6580 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -6.8060 -2.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -5.9840 -1.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -5.4120 -4.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -3.9130 -4.3930 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9590 -3.4040 -5.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -3.7980 -4.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -3.1380 -3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -2.8960 -2.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -4.2930 -5.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -4.1210 -4.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -4.6120 -5.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -5.2740 -6.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -5.4470 -7.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -4.9640 -6.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 -5.7990 -7.8660 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8620 -5.6470 -7.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 -6.3830 -8.8720 O 0 5 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 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6250 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.8530 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.2700 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.5190 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.0180 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -3.9270 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -4.1190 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -6.0150 -4.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -5.5520 -5.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -3.6030 -3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -4.4780 -5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -5.9650 -8.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -5.1030 -6.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END