MDPI-ZINC03845158 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 0.1110 1.2590 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.1920 1.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -0.7760 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -0.0910 0.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -2.1200 0.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -2.7210 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -4.0530 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -4.6930 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 -3.9540 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2230 -4.5590 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 -5.8930 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1100 -6.6300 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -6.0370 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -6.8260 -0.2390 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6400 -6.3090 -0.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -7.9930 0.1110 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1270 1.5990 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 1.6480 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.6200 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -2.6670 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -2.1130 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -4.6620 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 -2.9130 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1360 -3.9890 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2300 -6.3610 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -7.6720 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 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 20 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END