IFLAB-ZINC04568767 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 1 0 0 0 0 0999 V2000 0.6480 1.3790 2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 0.0180 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -0.6730 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -0.0580 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 1.2810 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 2.0300 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 3.5030 0.5700 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3320 3.8630 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 4.4000 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 5.8120 1.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 6.6300 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 6.2090 0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 8.0470 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 8.4260 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 9.7750 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 10.7030 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 10.3330 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 9.0130 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 11.4020 0.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 12.4890 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 12.0480 0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 3.1670 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 3.6480 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 3.2890 -1.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 3.9030 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 3.4450 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -0.9140 -0.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -2.1410 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -1.9920 1.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 1.9210 2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -0.4800 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 1.7250 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 4.3650 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 4.0400 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 6.2070 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 7.6860 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 10.0840 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 8.7450 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 13.0340 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 13.1690 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 3.4800 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 2.0800 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 3.1710 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 4.7330 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 3.6110 -2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 4.9940 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 2.3610 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 3.9620 -1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -2.8910 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -2.4980 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 3.7700 0.0300 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8690 4.8170 0.1050 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 29 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 51 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END