ENAMINE-ZINC00078159 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -0.6300 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 0.0140 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -2.1360 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -2.6740 0.0160 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -4.4310 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -5.0360 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -6.4130 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -7.1900 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 -6.5910 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -5.2140 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 -4.5740 0.0400 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3330 -5.2620 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -3.3600 0.0480 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5290 -8.6930 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -9.0600 -0.0370 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 -9.2140 1.1230 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -9.2000 -1.1610 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -2.5140 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -2.5230 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -4.4300 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -6.8840 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 -7.2010 0.0080 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 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 18 1 0 0 0 0 16 19 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END