IFLAB-ZINC05251523 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 0 0 0 0 0 0999 V2000 1.4220 1.1560 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -0.1390 -0.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -0.5990 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -2.1260 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -2.5460 -0.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -3.8560 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -4.6880 -1.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -4.2840 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -3.4520 0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -5.5940 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -5.9990 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -5.2290 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 -5.6310 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 -6.8000 2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 -7.5680 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -7.1740 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -8.8180 2.8560 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.6110 -9.1680 3.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -9.4950 2.9100 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2610 -0.0430 -2.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 1.3340 -2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 1.1790 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 1.9050 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 1.3710 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.2870 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -2.4770 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -2.5500 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -1.8810 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 -6.2570 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 -4.3160 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 -5.0330 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6560 -7.1120 2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -7.7770 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 1.5010 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 1.5980 -3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 1.9530 -1.7090 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 20 1 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 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END