IFLAB-ZINC05258585 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 -1.3910 1.0160 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -0.2740 0.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.7540 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 0.0000 2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -0.4890 3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -1.7310 2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -2.4900 1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -2.0090 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.7790 0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -4.1190 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -4.6680 1.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -4.9370 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -6.4190 -0.7980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0400 -6.5590 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -7.2240 -1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -8.0830 -1.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -8.0260 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -8.4630 2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 0.3190 4.1530 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0510 1.4140 4.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -0.1100 4.7470 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6040 1.7550 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 1.2790 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 1.0000 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 0.9720 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 -2.1090 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -3.4600 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -2.3470 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -4.7830 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -4.6260 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -7.7550 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -8.8470 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -7.6430 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -8.7350 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -9.4160 3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -6.9870 -3.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -6.8670 0.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -6.1140 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -9.6230 2.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -9.9300 3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -7.5290 -3.9370 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 15 16 2 0 0 0 0 15 36 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 37 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 35 39 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END