IFLAB-ZINC02922971 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3890 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 1.1770 -0.6900 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0120 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.4290 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 2.1030 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 2.1270 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7820 1.3840 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -0.0030 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -0.6300 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 -0.8620 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 -0.0810 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1970 1.2210 0.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0860 2.1400 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4230 1.6310 1.2300 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 2.6200 2.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9860 0.4090 1.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6710 2.4250 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6380 3.7950 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6160 4.4190 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6280 3.6710 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6600 2.2990 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6850 1.6770 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8570 4.4530 -2.1770 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 3.6050 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 4.2150 1.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9100 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.5480 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -1.7700 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 3.1830 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 -1.1930 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -1.7330 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0900 -0.6320 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1010 0.0720 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 2.5890 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 2.9240 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 4.3790 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5910 5.4890 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4500 1.7140 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7120 0.6070 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 4.2750 -1.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 5.2400 -1.1510 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 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 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 41 42 1 0 0 0 0 M END