IFLAB-ZINC04190146 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.2040 1.4280 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -0.0400 -0.0650 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9720 -0.7340 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -2.4550 -0.3240 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -2.2710 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.8280 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -0.2000 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -0.9390 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 -0.3640 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -1.0150 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 -0.4310 -0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2900 -1.4040 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6650 -1.1970 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5370 -2.2940 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0440 -3.6000 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6710 -3.8260 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8170 -2.7310 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 -2.8050 -0.1850 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 0.9940 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 1.4830 1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3080 2.9330 1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5370 3.5920 3.1210 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1940 3.5150 3.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5220 2.6880 3.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 1.6940 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 1.9020 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 1.7360 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -2.9800 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -2.4450 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -0.4200 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -0.7140 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 0.8770 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -2.0190 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 0.7170 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0890 -0.2030 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6110 -2.1270 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 -4.4390 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 -4.8360 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4810 1.2020 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 1.5840 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 1.3910 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5550 0.8470 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2710 3.0170 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5880 3.5840 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0200 4.9480 2.8680 O 0 5 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 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 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 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 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 M CHG 1 2 1 M CHG 1 45 -1 M END