IFLAB-ZINC04370313 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -0.8480 -1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -0.5260 -2.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -1.0050 -3.5630 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 -0.2140 -0.0360 2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.2740 4.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.2030 5.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -0.1610 6.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.8290 6.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -0.8940 4.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 0.0220 7.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 0.8570 4.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 1.0560 3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 0.6320 2.4210 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 1.6640 -0.3650 -3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -2.0270 -3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -0.9830 -4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -1.2420 6.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 1.5910 3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 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 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 M END