IFLAB-ZINC05257687 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -1.7360 1.2880 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 0.0740 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.0830 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -1.1970 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -2.1610 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.0150 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -0.8900 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -2.9390 -2.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -4.1080 -2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -4.5490 -1.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -4.8640 -3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -6.3850 -3.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5040 -6.7460 -2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -6.9890 -4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -7.4630 -5.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -7.9940 -1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -8.3500 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -9.5880 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 -9.9450 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 -11.1860 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 -11.5320 1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 2.0810 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 1.0540 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 1.6620 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.6600 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -1.3180 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -3.0100 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -0.7500 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -2.7030 -2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -4.5760 -3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -4.5360 -4.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -8.8040 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -7.7420 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 -8.5310 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -7.5030 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -9.4050 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -10.4340 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 -10.1210 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 -9.0980 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 -11.0090 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -12.0330 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 -11.7710 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 -10.7330 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -6.9370 -5.5320 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6190 -6.7970 -2.6120 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2590 -7.0320 -3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -5.9820 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4020 -12.7380 2.5320 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3240 -13.0020 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -13.5490 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 -12.5860 3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 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 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 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 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 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 48 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 M CHG 1 44 -1 M CHG 1 45 1 M CHG 1 48 1 M END