IFLAB-ZINC05258759 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 1 0 0 0 0 0999 V2000 -2.4330 -3.0280 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -1.7360 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 0.4440 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -0.0180 -1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -0.2310 1.5240 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4580 -0.0870 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 1.0910 1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 2.2210 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 2.0100 0.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 3.4670 1.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 4.5380 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 4.5140 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 5.5690 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 6.6540 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 6.6790 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 5.6260 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 5.6560 0.4820 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4070 6.6500 0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 4.6860 0.9720 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.2590 7.6930 -1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 7.6010 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1520 8.8530 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -1.2690 2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -1.9270 2.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -3.8440 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -3.2620 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -2.9000 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -1.9060 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -1.4250 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 1.2480 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 0.8050 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.8220 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 0.8180 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -0.3780 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 1.2550 3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 1.0520 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 3.6210 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 3.6690 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 5.5510 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 7.5240 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 6.7190 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 7.5210 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2270 8.7820 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9360 9.7340 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 8.9330 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -0.6830 0.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 -1.4630 3.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -2.1400 4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 46 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 46 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 37 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 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 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 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END