MDPI-ZINC04273542 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 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 1.0960 -0.7760 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -2.2090 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -3.3700 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -4.6060 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -4.7010 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -3.5540 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -2.3160 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -0.9080 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -0.2830 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 0.1080 -0.0300 N 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 2.5750 -3.3020 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 -5.5040 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -5.6710 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -3.6290 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -0.7400 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -0.7310 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 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 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 3 0 0 0 0 M END