IBS-ZINC04263288 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1610 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4550 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -1.8350 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -2.6020 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -1.9910 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -2.8130 -0.0470 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1250 -4.0280 -0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -2.2740 0.9020 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6170 -2.6160 -4.5800 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -3.9190 -4.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -1.6800 -5.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -2.8200 -4.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -4.0430 -3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4890 -3.6420 -2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 -2.7150 -2.6800 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4690 -3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 -1.7840 -4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4160 -2.4560 -1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4950 -1.5970 -1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3440 -1.3480 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0830 -1.9680 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9940 -2.8090 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 1.2390 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 0.1430 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -3.6800 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 -4.6380 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 -4.6220 -4.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 -3.1540 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9310 -4.5320 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3420 -1.0110 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8130 -0.7830 -3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8820 -2.1490 -5.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -0.8840 -4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6690 -1.1320 -2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1900 -0.6860 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7270 -1.7950 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7880 -3.2930 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1980 -3.0240 -0.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 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 12 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 44 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END