IFLAB-ZINC02966263 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7010 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0840 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7780 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0810 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 0.0740 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.7650 -2.3920 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0480 -3.1490 -3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -2.8910 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -3.9640 -3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -4.0220 -4.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -4.5900 -4.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -3.8340 -4.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -3.6500 -4.4890 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2220 -3.1630 -3.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -2.6000 -5.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -2.5720 -6.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -1.5080 -7.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -0.6710 -7.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -1.2270 -5.8230 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -4.8860 -4.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1620 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6220 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.8580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.2710 -2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.5170 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.0190 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 -2.9480 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 -1.9040 -2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -4.9330 -2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -3.7180 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 -4.6630 -5.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -3.0180 -5.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -5.6400 -4.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -4.4940 -6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -2.3100 -3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -3.9730 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -3.3240 -6.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -1.3660 -8.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 0.2100 -7.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -4.8170 -5.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 23 46 1 0 0 0 0 M CHG 1 9 1 M END