MDPI-ZINC03851636 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 50 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3670 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 1.2220 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 1.3990 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 2.0820 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 3.5570 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3570 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 5.7020 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 6.0210 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 4.5500 0.0200 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 7.3860 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 8.4670 0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 9.6410 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 10.9440 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 12.0390 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 11.9030 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 10.6320 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 9.5070 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 7.7900 0.0500 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 13.0660 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 13.9880 0.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -2.1630 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -2.9160 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -4.2410 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -5.2600 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -6.5680 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -6.9400 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -5.9550 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -4.6140 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 -3.1490 -0.0470 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -8.3240 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -9.4220 -0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.8940 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 3.3650 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 1.9510 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 3.9620 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 6.4490 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 11.0670 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 13.0250 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 10.5200 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -4.9930 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -7.3320 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -6.2350 -0.0590 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 21 22 3 0 0 0 0 23 24 2 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 29 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 30 31 1 0 0 0 0 32 33 3 0 0 0 0 M END