IFLAB-ZINC04243230 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 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 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -1.8960 -0.8140 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -2.1370 -0.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -1.7520 -2.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -3.2180 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -3.9290 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -4.9600 1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -5.2480 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -3.5620 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -6.2820 1.6680 N 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 0.7570 -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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 -0.0360 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -3.6820 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -5.5340 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -3.0140 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -6.7990 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -6.4870 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -4.5470 0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 24 1 0 0 0 0 12 27 2 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 M END