IFLAB-ZINC01795155 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -2.4960 -2.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -3.8240 -2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -4.5710 -1.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -4.3840 -3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -6.1960 -3.7630 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -6.6630 -5.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 -5.6870 -6.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 -6.0560 -7.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -7.3950 -7.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -8.3680 -6.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -8.0070 -5.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -9.0490 -4.6170 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8860 -10.2260 -4.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -8.7290 -3.5950 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1890 -7.8610 -9.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 -9.1520 -9.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 -6.7660 -9.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 -7.9650 -8.5560 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 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -4.0500 -4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 -4.0340 -3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -4.6420 -5.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -5.2990 -7.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -9.4120 -6.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -8.7120 -7.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 -8.2520 -9.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 -6.9950 -8.1880 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 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 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 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END