MDPI-ZINC03844361 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 1.5750 0.9460 1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -0.2180 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -0.7440 -0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -1.8300 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -2.3020 -0.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -2.3420 -2.4430 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0440 -1.8900 -3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -1.8370 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 -2.2500 -3.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -1.8230 -4.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -3.8710 -2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -4.6220 -3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -6.0200 -3.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -6.7210 -2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -7.9540 -2.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -5.9480 -1.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -4.5620 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -3.9060 -0.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 -6.6550 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -6.8180 -4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -4.0220 -4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 0.6190 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 1.7220 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 1.3830 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -0.9950 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 0.1280 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -0.7410 -2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -2.1920 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -7.4210 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -5.9920 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -7.1550 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -6.6340 -5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -7.8920 -4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -6.5550 -4.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -2.9340 -4.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -4.3720 -5.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -4.3020 -4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 -2.9650 -3.8080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M CHG 1 38 -1 M END