IBS-ZINC06660155 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.2920 -0.1130 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -0.3630 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -1.6790 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -0.3590 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -0.4500 3.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0050 -1.2940 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -0.6720 3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 0.3750 4.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 0.7860 3.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 1.0760 3.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 0.2930 3.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 2.3430 4.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 3.0150 4.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 4.2990 5.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 5.0300 5.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 4.4830 5.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 3.2000 4.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 2.4750 4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3630 2.6570 4.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5290 3.2150 4.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4450 2.2700 4.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8440 2.2730 4.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5210 1.1400 4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8200 0.0360 3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4210 0.0190 3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7900 1.1600 3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4500 1.4010 4.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -0.9010 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -0.0810 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 0.8460 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 0.4570 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -2.5320 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -1.8500 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -1.6730 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -1.1880 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 0.5600 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 1.4150 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 2.8390 4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 4.7450 5.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 6.0260 5.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 5.0660 5.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 1.4830 4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3850 3.1280 4.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6090 1.1190 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3750 -0.8280 3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8650 -0.8260 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -1.8410 3.4170 O 0 5 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 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 47 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 47 -1 M END