IFLAB-ZINC05251707 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 0.2890 1.4820 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -0.0240 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.7190 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -2.1140 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -2.7240 -0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -2.0210 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -0.6980 -1.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.6920 -2.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -2.1150 -3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -3.1080 -4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -4.3280 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -4.0810 -2.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -2.9340 -5.9420 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2010 -1.8160 -6.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -3.9100 -6.6620 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0630 -2.8530 2.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -4.2500 2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -5.0260 3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -6.4020 3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -7.0110 2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -6.2350 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -4.8580 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -8.7680 2.0340 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -9.0520 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -8.4360 0.4960 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -8.5130 -0.5860 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 1.8650 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 1.8330 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 1.8390 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.1940 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -1.0550 -3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -5.3080 -4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.4040 3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -4.5520 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -7.0050 4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -6.7080 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -4.2550 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -10.1230 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END