IFLAB-ZINC00082291 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.1020 1.6280 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.0980 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -0.4210 -1.2770 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5960 -0.0010 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -1.9220 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -2.4300 -0.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -2.7200 -1.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -2.2550 -3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.8010 -2.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -0.0270 -2.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 0.9970 -3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 1.3400 -4.7130 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 1.7500 -2.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 2.8410 -3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 3.1450 -4.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 3.6670 -3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 4.1920 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 4.9630 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 5.2160 -2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 4.6990 -3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 3.9210 -4.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 3.3640 -5.4700 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5940 3.6800 -6.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 2.5890 -5.7740 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9300 1.9770 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 1.9980 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 1.9970 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -0.2730 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -0.2520 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -3.6770 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -2.3300 -4.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -2.8820 -3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -0.3960 -3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.7510 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 1.5080 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 3.9960 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9850 5.3690 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 5.8200 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 4.9000 -4.4180 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 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 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 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 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 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END