MDPI-ZINC03852112 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2130 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 0.0230 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.4020 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 3.5700 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 4.2550 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 5.6340 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 6.3400 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 5.6610 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 4.2820 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 6.4180 0.0010 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6790 5.8230 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 7.6360 0.0070 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2280 -2.0420 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -0.5080 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 1.9510 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 3.7060 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 6.1650 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 3.7540 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -2.4310 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 7.6990 0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 8.0880 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 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 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 24 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END