MDPI-ZINC04235639 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.8300 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -0.6050 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -1.6750 3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -2.9750 2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.2170 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.1480 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.0710 -0.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.8120 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.3370 -2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -1.2040 -3.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.7890 -4.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -1.7100 -5.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -3.0720 -5.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -3.9800 -6.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -3.5370 -7.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -2.1820 -8.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -1.2640 -7.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 0.0680 -7.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 0.4520 -8.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 1.0670 -2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 2.1810 -3.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 0.4050 2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -1.5010 4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -3.8040 3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -4.2330 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 0.1620 -4.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -3.4220 -4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -5.0400 -6.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -4.2510 -8.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -1.8400 -9.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 0.0700 -9.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 0.0380 -9.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 1.5390 -8.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 3 0 0 0 0 M END