MDPI-ZINC01724161 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5540 -1.7280 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 -0.7440 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6590 -1.2600 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 -2.0020 -2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4660 -2.4370 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 -2.1530 -1.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8160 -1.4520 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 -0.9860 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9770 -0.2280 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 0.2150 1.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -0.0330 0.8590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -1.3980 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 0.2620 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 -2.2400 -3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -3.0200 -3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4830 -1.2390 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 0.5660 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 9 10 1 0 0 0 0 9 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 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 29 1 0 0 0 0 M END