IFLAB-ZINC02454580 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 47 0 0 0 0 0 0 0 0999 V2000 0.2500 2.3950 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 0.9340 -0.0850 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1480 0.3290 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 0.4360 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 0.8080 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 0.3100 1.7980 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.8540 0.9150 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -1.1510 1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 0.6680 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 0.2000 3.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 -0.4580 2.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 0.5120 4.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 0.0570 4.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7800 -1.1640 5.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 0.5760 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 1.1290 -1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 1.6770 -0.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 1.0160 -2.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 1.5540 -3.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 0.5150 -3.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 2.7520 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 2.8510 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 2.6670 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 0.4970 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -0.7420 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 0.7850 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 0.8840 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -0.6490 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 0.3600 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 1.8930 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 0.7590 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 0.4500 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 1.9840 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -1.6060 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -1.5090 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -1.4230 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 0.1910 3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 1.7500 3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 1.0390 5.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3440 0.8150 5.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2780 -0.1080 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 -1.5250 5.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -0.5090 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.9950 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 0.5780 -3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 1.9440 -4.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 2.3560 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 0.8000 -3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 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 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 M CHG 1 2 1 M CHG 1 6 1 M END