IFLAB-ZINC04940851 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 0 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -0.5970 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -1.9510 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.8750 -2.5520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -1.8180 -3.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -1.2400 -2.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 0.6710 -3.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 0.4310 -4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 1.6790 -5.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 1.7080 -6.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 0.6970 -7.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 2.9680 -7.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 3.0000 -8.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 4.1790 -9.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 5.3280 -8.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 5.3020 -7.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 4.1310 -6.9920 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -0.5200 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 0.2030 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -2.7510 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -2.0410 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -2.0280 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 1.4290 -2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 1.0140 -3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -0.3270 -5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 0.0880 -4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 2.4860 -5.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 2.1040 -9.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 4.2060 -10.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 6.2480 -9.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 6.2030 -7.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 4.1140 -6.0480 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 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 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 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 M END