IFLAB-ZINC02720596 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 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 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 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0590 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -0.0580 -1.5230 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -0.6440 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 -1.2310 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 -1.6930 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9330 -2.3750 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 -2.7900 2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 -3.4160 3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5500 -3.6440 3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0900 -3.2440 2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 -2.6020 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5480 -2.1020 -0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4110 -2.1300 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3970 -1.5500 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -0.9190 -1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9970 -0.7740 -2.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -0.4730 -2.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 0.1930 -3.3900 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -2.4360 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -2.4820 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -2.3460 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 -2.6160 2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 -3.7360 4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1740 -4.1400 4.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1330 -3.4260 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -0.5500 -4.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 0.7090 -3.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 0.9140 -3.2320 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 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 21 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 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M END