IFLAB-ZINC04940908 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 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 0.5120 -0.3560 -0.8950 H 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 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.5700 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -0.0610 1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 0.3110 1.1610 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 0.7480 2.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 1.1910 0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 -1.2700 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 -1.0550 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 -2.3320 0.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0640 -2.3860 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7260 -1.3760 0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7300 -3.6740 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1200 -3.7340 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7350 -4.9390 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9780 -6.0870 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6000 -6.0350 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9720 -4.8350 -0.1120 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 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 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.4020 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -3.6600 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.2190 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -2.4410 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 0.0340 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -1.6620 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 -1.9800 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4230 -0.6630 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2880 -0.3450 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1930 -3.1380 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7120 -2.8380 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8100 -4.9870 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4640 -7.0290 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0150 -6.9350 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 -4.7950 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 M END