CHEMBRIDGE-ZINC04196873 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 1 0 0 0 0 0999 V2000 -0.0970 1.3600 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -0.0270 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.7160 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 0.0290 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 1.4210 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 2.0920 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 2.0150 0.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 1.1000 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 -0.5210 -0.0990 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 1.4470 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7520 0.8410 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 1.2690 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1290 1.5170 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 1.0870 -1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3680 1.1070 -0.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7310 0.7390 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0700 0.3580 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7600 1.4420 -2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4070 1.2680 -3.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5530 2.6370 -1.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7790 2.5530 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 3.4870 0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 1.8790 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -0.5840 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -1.7980 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 3.1740 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 2.5410 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 1.1560 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -0.2550 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3150 2.3530 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7660 0.7610 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 1.1910 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2260 2.6030 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6120 0.0070 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 1.5760 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8300 -0.3220 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3950 -0.2050 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9370 3.5070 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8470 0.8690 -0.1500 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7160 -0.1500 -0.2330 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 26 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 39 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 39 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END