ASINEX-ZINC06680949 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.0030 1.4890 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.0410 -0.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5130 -0.3930 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -0.5550 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -2.0850 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -2.6320 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -2.0300 0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.5660 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -2.9820 -0.9900 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -2.2080 -2.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -4.2510 -0.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -3.2330 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 -2.3890 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0510 -2.7590 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 -4.2180 0.8870 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -4.2610 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3280 -2.0530 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4000 -1.0470 -0.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4240 -2.5160 0.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6210 -1.7910 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9590 -1.0840 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1420 -0.3690 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9900 -0.3570 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6590 -1.0600 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4790 -1.7830 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1550 -2.4800 2.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5630 0.5160 -2.2290 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 1.8610 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.8540 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 1.8400 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -0.1640 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.2230 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -2.4180 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -2.4500 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -3.7160 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -2.3770 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1410 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -0.2850 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 -1.5210 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -5.0160 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 -3.3520 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2980 -1.0900 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9120 0.2030 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3230 -1.0490 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6450 -1.9710 3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 26 45 1 0 0 0 0 M END