IFLAB-ZINC04376821 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 0 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 -0.7020 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0720 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 0.4000 -3.0460 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 1.2810 -4.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 1.5960 -5.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 2.2390 -6.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 2.3720 -6.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 1.7650 -5.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 1.7510 -5.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 2.3170 -6.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 2.9510 -7.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 2.9740 -7.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 2.2920 -6.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7300 1.7220 -5.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0820 1.9330 -5.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 2.6140 -6.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8340 2.8240 -7.0990 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 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8480 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.5200 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.0160 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 3.4110 -8.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 3.4580 -8.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 1.2080 -4.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9420 1.6110 -4.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 2.9340 -7.2330 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 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 M END