IFLAB-ZINC04314825 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.1770 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -2.0390 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -2.5280 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.7100 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -3.9300 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -2.0640 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -0.7370 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 0.1040 0.0420 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 -1.3120 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -0.8210 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 0.3700 0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 -1.7040 0.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6340 -1.2510 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6830 -2.0130 0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8580 -1.4130 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8000 -0.0800 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1030 0.3930 0.1260 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -0.1370 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 -1.9120 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -1.9210 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -2.6570 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7910 -1.9570 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6450 0.5920 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 M END