IFLAB-ZINC05251543 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.0110 1.5250 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -0.0040 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.4770 -1.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -1.7990 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -2.5980 -0.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -2.2800 -2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -1.4810 -3.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -3.6020 -2.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -4.0550 -4.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 -3.3310 -4.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -3.7810 -5.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -4.9510 -6.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -5.6740 -5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -5.2320 -4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -6.9260 -6.4610 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3250 -7.3190 -7.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -7.5630 -5.9280 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0100 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8840 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.8770 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -0.3630 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -0.3840 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 0.1620 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -4.2400 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -2.4170 -4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 -3.2190 -6.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -5.3010 -7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -5.8000 -4.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END