IFLAB-ZINC04315322 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 0.1620 0.7690 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 0.9540 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 1.2090 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 1.2740 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 1.0860 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 0.8320 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 1.2120 -0.9500 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1630 1.1330 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 1.4630 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 1.5050 1.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 1.6460 0.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4830 0.9380 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 3.0710 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9350 3.3000 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5070 2.9900 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6650 1.3320 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8260 1.1330 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2000 0.5540 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 0.2820 1.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9880 0.3860 3.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2890 -0.1620 3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9120 -0.2340 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1960 -0.7710 5.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8750 -1.2330 3.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2550 -1.1760 2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9690 -0.6390 2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2250 -1.7990 4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5700 -2.2550 5.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0760 -1.7680 2.9980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 0.5720 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 0.8990 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 1.3540 2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 0.6880 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 3.2580 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 3.8050 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 2.6720 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1550 4.3410 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5990 3.0710 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 3.6520 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 1.9610 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 0.2780 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2160 0.3440 3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8810 1.9960 3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6190 0.6760 4.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4140 0.1190 5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6630 -0.8230 5.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7360 -1.5660 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5250 -0.6210 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8620 -1.3590 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9960 -2.1750 3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1540 1.5720 1.4850 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5850 0.9560 0.7690 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 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 51 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 51 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 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 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 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 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END