IFLAB-ZINC04583674 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 0.9380 0.8490 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -0.3100 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -1.5420 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -1.5860 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -0.4410 -2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 0.7720 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 1.8880 -2.1460 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -2.7640 -2.3290 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -2.7610 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -2.9680 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -2.1720 1.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -4.4310 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -5.2640 0.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -4.7010 2.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -6.0330 2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -6.8030 1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 -7.5320 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -7.9660 -1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -9.1380 -1.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -8.8960 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -8.5170 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 1.8120 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -0.2170 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -0.4940 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -3.5870 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -3.8980 2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -6.5880 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -5.8910 3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -7.6850 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 -6.1480 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -6.5980 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -8.3140 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -8.2070 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -7.1660 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -9.8160 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -8.1140 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -9.3170 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -8.2790 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -7.2900 0.5890 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5620 -6.5130 0.3660 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END