MDPI-ZINC04235592 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 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 0.0560 -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 0.0610 -3.2170 1.5180 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 -2.0700 -0.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.8110 -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 -1.2030 -3.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.7530 -4.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -1.6690 -5.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -1.2200 -7.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -2.1240 -8.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -3.4960 -7.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -3.9440 -6.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -3.0340 -5.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -4.4680 -9.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -4.0770 -10.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 1.0670 -2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 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 0.0240 0.4050 2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -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 0.0720 -4.2330 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 0.1990 -5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -0.1600 -7.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -1.7750 -9.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -5.0030 -6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -3.3800 -4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -5.7890 -8.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -6.3880 -9.5510 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 20 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 22 23 3 0 0 0 0 36 37 1 0 0 0 0 M END