MDPI-ZINC03846371 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.0400 1.7020 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 0.1680 -0.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4650 -0.1390 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -0.4110 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -0.1940 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 0.1280 -0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -0.3870 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -1.2480 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -1.7980 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 -1.5040 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -0.6390 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -0.0900 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 -2.1090 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -2.9190 0.9520 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9720 2.1060 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 2.1030 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 2.0940 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -1.5000 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -0.0110 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -1.5070 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -2.4690 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -0.3980 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 0.5630 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -0.3760 -2.3280 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.2280 -1.7640 -0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 24 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 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 25 2 0 0 0 0 M CHG 1 14 -1 M CHG 1 24 -1 M END