MDPI-ZINC03848045 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 25 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 -0.6720 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0790 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8400 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.2040 2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -4.8490 1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.1380 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7350 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -1.9520 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6420 -1.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.9440 3.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -6.3650 3.2550 C 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 0.0240 -0.1330 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.3520 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -5.9290 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -4.6500 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.4260 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -6.6840 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -6.6610 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -6.8340 4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 M END