IBS-ZINC04042301 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 0.0550 1.4300 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 0.0100 0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -0.5530 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 0.1440 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -0.5330 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -1.9310 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -2.6660 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -1.9560 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -4.0650 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -4.1080 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 -2.8370 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6790 -2.6330 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0830 -5.2490 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 -6.4120 -0.1350 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8500 -5.2100 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -5.7090 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -6.8490 1.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -6.7820 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -5.8180 0.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -8.1310 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -8.6230 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -9.9960 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -10.8460 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -10.2980 1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -8.9460 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -8.1140 1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -8.5300 2.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -12.3250 1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -12.9990 2.3110 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1090 1.7170 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 1.8520 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 1.8410 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 1.2300 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 0.0140 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -2.4940 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -6.0320 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -4.8910 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -4.9110 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -5.9860 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -7.9830 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -10.4290 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -10.9220 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 -4.9640 -0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -12.7810 1.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 43 2 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 26 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 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 29 1 0 0 0 0 28 44 2 0 0 0 0 M CHG 1 14 -1 M CHG 1 29 -1 M END