IBS-ZINC04042470 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -1.7750 1.1970 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -0.2170 0.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -0.9470 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -0.4230 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 -1.2630 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 -2.6430 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -3.2080 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 -2.3350 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -4.6420 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 -4.8740 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 -3.6810 1.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8910 -3.6170 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 -6.1160 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 -7.2040 1.2630 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7320 -5.6370 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -6.0210 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -7.0690 2.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -7.0630 3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -6.1750 3.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -8.3130 3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -9.5040 3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -10.7170 3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -10.7500 3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -9.5720 3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -8.3350 2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -7.1190 2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -6.3180 1.6980 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7690 1.6260 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 1.5330 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 1.5630 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 0.6460 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2170 -0.8520 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -2.7380 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -6.5320 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -5.2240 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -5.1430 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -6.4110 2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -7.8480 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -9.4860 3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -11.6310 3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -11.6900 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -9.6080 2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 -5.9900 1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -7.0350 3.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 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 33 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 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 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 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 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 1 0 0 0 0 26 44 2 0 0 0 0 M CHG 1 14 -1 M CHG 1 27 -1 M END