MDPI-ZINC03844856 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 60 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3900 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 1.1780 -0.6880 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0180 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4360 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.1060 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 2.1160 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 1.4680 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 0.0610 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -0.6280 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 -0.6530 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 -2.0450 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 -2.7160 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4330 -1.9940 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 -0.6020 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1830 0.0690 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 0.1660 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6360 1.5730 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7480 2.2680 -0.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9290 1.6370 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1340 2.3590 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3210 1.6920 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3610 0.2990 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2140 -0.4340 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9690 0.2200 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8270 -0.4750 -0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 -4.1990 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5090 -4.8710 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5550 -6.1820 -0.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 -6.8890 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4410 -8.2940 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 -8.9880 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 -8.3260 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -6.9670 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 -6.2150 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 -4.8790 -0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9090 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -1.7680 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 3.1860 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 2.0190 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 -2.6050 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3790 -2.5150 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1600 1.1480 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6850 2.0840 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 3.4390 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2450 2.2510 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3150 -0.2060 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2600 -1.5130 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4270 -4.3030 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3830 -8.8210 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 -10.0680 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -8.9000 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -6.4670 -0.0640 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 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 26 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 36 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 35 1 0 0 0 0 34 54 1 0 0 0 0 35 36 1 0 0 0 0 M END