IFLAB-ZINC04568744 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 5.3100 0.5260 2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 0.2430 3.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 -0.6400 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -1.0840 1.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -0.9170 3.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -1.7370 2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -3.2240 2.6800 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9700 -3.2690 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -3.8470 3.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -3.9630 5.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -4.5490 6.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 -5.0090 6.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -4.8990 4.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -4.3250 3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 -5.4150 4.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 -5.8650 6.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -5.6050 6.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -5.5020 1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -6.2720 1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -5.6770 0.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -4.3410 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -3.4540 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 1.0340 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 1.1650 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -0.4030 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 -0.2530 3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 1.1860 3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -0.5370 4.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -1.6590 3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -1.2610 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -3.5960 5.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -4.6390 7.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -4.2510 2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 -6.9450 6.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2180 -5.3570 6.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -5.9440 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -5.4840 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -7.3000 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -6.3190 2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -3.9500 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -4.3520 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -3.3970 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -2.4590 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -4.0380 2.2810 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5720 -4.0400 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 44 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END