IBS-ZINC04311871 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.0190 1.5040 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.0030 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.7000 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -2.0840 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -2.7750 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -2.0870 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.6940 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 0.0040 -2.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.6540 -3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 0.0620 -4.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 1.4930 -4.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 2.6290 -4.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -0.6300 -5.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.0560 -7.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -0.8470 -8.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -2.2630 -7.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -2.3810 -6.1460 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -0.3640 -9.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.0140 -9.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 1.4570 -11.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 0.5440 -12.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.8260 -11.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -1.2790 -10.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 0.9890 -13.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -0.0010 -14.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -2.8270 2.4670 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1000 -2.1710 3.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -4.1440 2.4630 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0460 1.8700 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.8700 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 1.8610 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -0.1650 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -3.8550 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.6270 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 0.9700 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -1.7340 -3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -3.0920 -8.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 1.7230 -9.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 2.5170 -11.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -1.5290 -12.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -2.3400 -10.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.6340 -14.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 0.4890 -15.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -0.6120 -14.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 3 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 37 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 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 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 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END