MDPI-ZINC04293683 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -5.4260 -0.7640 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6950 -6.3880 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 -5.4400 0.7660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6650 -6.4120 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -4.3570 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -3.3870 1.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 -4.4700 1.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 -3.3890 2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -4.3300 -1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 -4.5920 -1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -3.5890 -2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -2.3200 -2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -2.0590 -2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -3.0630 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5890 -1.3380 -3.3340 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 -3.2930 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -2.4570 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5040 -3.6060 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 -5.5820 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 -3.7940 -3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -1.0700 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -2.8580 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END