MDPI-ZINC04268109 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 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 0.0220 -0.6630 1.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.0150 2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.1170 2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 1.8020 3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 1.4040 4.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 0.3050 4.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -0.3880 3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -0.1180 5.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -1.0740 5.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7310 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.0590 -2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.8360 -3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -0.2290 -4.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -0.9940 -6.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -2.3690 -5.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -2.9840 -4.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -2.2250 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -2.8130 -2.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -2.2060 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -2.8530 -0.4070 O 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 1.5160 1.4330 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 2.6520 3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 1.9450 5.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -1.2360 3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 1.0200 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 0.8410 -4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -0.5270 -7.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -2.9630 -6.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -4.0530 -4.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 0.5560 6.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 0.2410 7.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 30 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 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 35 36 1 0 0 0 0 M END