IBS-ZINC04729510 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3990 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 0.0150 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -0.6540 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 0.0690 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4650 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.1210 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -0.6420 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -0.2230 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9120 -1.2250 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 -2.1210 0.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 -1.7570 0.6460 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 -3.2630 0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2120 -4.1360 1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -5.2650 2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 -5.5260 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8690 -4.6590 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 -3.5320 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 0.9020 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 1.1620 -2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6130 2.2370 -2.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 2.5380 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9240 1.6430 -3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1730 1.9500 -3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3800 3.1440 -4.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 4.0360 -4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0810 3.7380 -4.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7240 3.4670 -4.8460 N 0 3 0 0 0 0 0 0 0 0 0 0 12.7200 2.6210 -4.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9250 4.6010 -5.4850 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9170 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -0.5420 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -1.7330 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 2.0300 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 3.2000 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 -1.2530 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -3.9330 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -5.9440 2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6270 -6.4090 2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9040 -4.8660 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 -2.8580 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 1.5890 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2570 0.4740 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8600 2.8130 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 0.7130 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9910 1.2590 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5040 4.9650 -5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 4.4320 -4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 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 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END