MDPI-ZINC03848636 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.7560 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -2.1560 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -2.8560 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -2.1730 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -0.7780 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -0.0740 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -2.9320 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -4.3260 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -5.0270 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2920 -4.3490 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3140 -2.9660 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 -2.2540 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6080 -2.2470 0.0670 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.6520 -2.8740 0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6290 -1.0300 0.0730 O 0 5 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 -0.3010 -2.6850 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -3.9360 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 -0.2520 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 1.0060 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -4.8560 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 -6.1070 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 -4.9010 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1490 -1.1740 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 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 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END