IFLAB-ZINC05154853 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -0.8260 1.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -0.6570 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -1.1650 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -0.6040 1.4680 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 0.0100 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -0.2310 2.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 -0.7350 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 0.2310 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 0.0200 2.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 0.9580 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 1.1740 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 0.6860 0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 1.9380 -1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 2.1560 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 2.8680 -3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 3.3650 -3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 3.1520 -2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 2.4470 -1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -0.4960 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -1.2220 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 -2.1590 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 1.3410 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 1.7670 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 3.0370 -4.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 3.9220 -4.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5710 3.5430 -3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 2.2850 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 M END