IFLAB-ZINC05153922 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 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 -1.0140 -0.3980 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.5280 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -0.4500 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -1.0790 3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.7890 2.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 -1.8690 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -1.2340 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -1.2230 -0.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -0.5180 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -0.3240 -2.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -1.9420 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -3.0920 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -2.5990 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -0.9760 5.1320 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -1.1940 5.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 0.1930 5.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -2.2600 5.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -3.6280 5.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -4.5860 6.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -6.0140 6.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -6.9320 6.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -7.5840 6.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -8.3200 7.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -8.1230 8.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -7.2970 8.1800 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 -0.1940 0.1000 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -2.2740 3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -2.3410 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -1.2610 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -3.8000 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -3.6000 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 -1.9250 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -3.4520 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -2.1070 5.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -3.9110 4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -3.6790 5.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -4.3030 7.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -4.5340 5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -6.2970 5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -6.0660 6.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -7.5200 5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -8.9570 7.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -6.9600 8.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 27 48 1 0 0 0 0 M END