MDPI-ZINC03848738 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.5000 0.5860 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -0.9330 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -1.2610 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -1.5360 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -1.8260 3.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -1.8550 3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -1.5890 2.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -1.6150 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -1.2950 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -1.0600 0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -2.1580 4.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -2.4230 5.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -2.3930 5.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -2.7200 6.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -2.9240 8.1520 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -3.2660 9.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -1.8060 8.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -4.3380 7.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -4.2000 7.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -5.3090 7.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -6.5580 7.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -6.6960 7.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -5.5850 7.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -5.7350 7.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -1.5120 1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 1.0260 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 0.8240 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 0.9900 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -1.3730 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.3360 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 -2.1820 4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 -2.8150 6.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -3.2250 7.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -5.2010 7.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -7.4250 7.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -7.6710 7.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -5.8260 8.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -6.6280 7.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -4.8600 7.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -2.5040 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -1.2230 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.7930 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END