IFLAB-ZINC04553827 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.4970 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.5200 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -0.3990 -1.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -0.0420 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.8250 -2.7390 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2480 -0.5780 -3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -0.4580 -2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 0.0840 -4.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 0.3360 -3.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7100 -0.0020 -2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4980 -0.6720 -1.6930 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -2.6040 -2.4120 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -2.9630 -1.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -3.0320 -2.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 -3.3660 -3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 -3.6320 -3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 -4.2290 -4.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 -4.5620 -5.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -4.2970 -5.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -3.7030 -4.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -0.8660 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 1.0260 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -0.2880 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 0.3090 -4.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 0.7720 -4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7570 0.1200 -2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3920 -3.3720 -2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5640 -4.4360 -4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.0280 -6.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -4.5560 -6.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -3.4990 -4.9750 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 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 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 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END