SPECS-ZINC04164442 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 -0.4790 1.6630 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 0.1520 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -0.5640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -2.0780 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -2.7570 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -4.1340 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -4.9080 0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 -4.5840 0.0800 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7620 -4.2310 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -6.1120 0.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8080 -6.7670 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 -6.2980 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 -5.2760 1.8660 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2260 -5.1950 2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 -4.0260 1.3300 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3590 -3.7140 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 -2.7420 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 -1.9090 0.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 -5.8450 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -6.3690 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 2.1550 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 2.0210 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 1.9700 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -0.1180 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -0.1690 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -0.2870 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -0.2340 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -2.3810 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -2.4320 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -2.2090 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -7.3160 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -6.0190 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8100 -5.7730 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 -6.8020 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0130 -2.6440 1.3710 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 M CHG 1 35 -1 M END