IBS-ZINC04888343 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.0410 1.0050 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 1.5420 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 1.7830 -2.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 1.7780 -1.1860 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9980 0.5370 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 0.9220 -2.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 0.1680 -3.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 2.2080 -3.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 2.8500 -2.2090 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7790 3.2130 -2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 3.9940 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 5.1950 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 6.2440 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 6.0920 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 4.8910 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 3.8430 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 7.2160 0.4610 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7010 8.2740 0.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4220 7.0810 0.8720 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.2080 2.8870 -4.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 2.8520 -5.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 3.6650 -6.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 3.6290 -7.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 4.4420 -8.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 4.4070 -10.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 3.7950 -10.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -0.5500 -1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.0850 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 1.3770 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.3330 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 5.3140 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 7.1830 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2790 4.7720 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 2.9060 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 2.3820 -4.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 3.9230 -4.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 3.2800 -5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 1.8200 -5.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 3.2370 -6.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 4.6970 -6.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 4.0570 -7.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 2.5970 -8.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 4.0140 -9.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 5.4740 -8.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 2.0740 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 5.0560 -11.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 5.0050 -12.0250 H 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 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 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END