MDPI-ZINC03844098 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -0.0030 1.4890 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.0340 0.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7090 -0.5610 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -0.0970 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -0.5060 0.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9090 -0.0060 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -0.0770 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.5680 -1.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7600 -1.6680 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -0.1890 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.7300 -2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -0.1260 -1.2080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9820 0.9740 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -0.5880 0.0800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3030 -1.6790 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -0.2090 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -1.0320 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -1.4440 -0.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5730 -0.3810 -1.1460 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0770 0.5740 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -0.9190 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -1.4380 -1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 -1.5190 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 -1.6180 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -2.8290 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 -1.9580 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -3.0790 0.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 1.8590 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 1.8640 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 1.8340 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -0.1780 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -1.6490 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 0.9840 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -0.5540 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 1.0070 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -0.5100 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 0.8920 -2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -0.6280 -3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -0.4290 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -1.8140 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -0.3980 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 0.8540 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -1.9230 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -0.4300 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.1110 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -1.7200 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -0.7420 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -2.4240 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -3.5380 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -3.1550 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -2.7800 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 3 0 0 0 0 M END