IFLAB-ZINC04275678 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 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 -1.7900 -1.2330 0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.2060 -0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -0.6860 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 -0.4210 -1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7670 -1.0520 -1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7740 -1.7580 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 -1.6910 0.2330 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 0.4110 -3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 0.9120 -3.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 0.6240 -4.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 1.4600 -5.1680 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 0.3600 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6250 -0.9580 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6280 -2.3040 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 1.5490 -5.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 2.4490 -4.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 1.0080 -5.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 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 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 M END