CHEMSTAR-ZINC04545568 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1970 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0130 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.4180 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 2.0930 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 1.8500 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 0.7180 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -0.3750 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -1.2950 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 3.2390 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 3.7710 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 5.1220 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 5.2640 -0.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 4.2340 -0.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 6.1650 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9540 5.8950 1.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1930 7.4130 0.4520 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0320 8.4000 0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0150 9.6020 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8980 10.6400 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 11.9340 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7100 12.9000 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5550 12.5890 2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5760 11.3080 2.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7490 10.3340 2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4420 13.6310 2.6880 N 0 3 0 0 0 0 0 0 0 0 0 0 10.4260 14.7590 2.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1860 13.3600 3.6130 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -1.7700 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 0.6900 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 3.2770 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 7.6290 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 9.8420 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 12.1790 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 13.9020 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2390 11.0720 3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 9.3360 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END