MDPI-ZINC03848417 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 30 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 0.2080 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -0.6340 0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 -0.3580 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -1.9270 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -1.8540 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -3.1630 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -4.0030 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -3.2560 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -5.4830 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -6.1040 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -7.4820 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -8.2460 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 -7.6350 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -6.2580 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -3.6540 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -5.5080 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -7.9640 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -9.3240 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 -8.2370 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 -5.7820 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M END