MDPI-ZINC03846304 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 64 0 0 1 0 0 0 0 0999 V2000 5.6830 0.1600 -4.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 -1.1890 -3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -1.0730 -3.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -2.1770 -2.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -3.2060 -2.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -2.1330 -2.6740 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0500 -1.8520 -3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -3.5120 -2.2200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0070 -3.4770 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -3.9100 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -4.5400 -3.3130 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4520 -4.6090 -3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -5.8860 -2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -6.1960 -3.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -6.8440 -2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -4.1140 -4.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -3.4990 -4.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -4.4160 -5.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -3.8630 -6.9660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1920 -2.9050 -6.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -4.8280 -7.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -6.1730 -7.8180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5390 -6.8600 -8.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -5.9690 -8.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -5.0040 -8.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -3.6600 -8.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2450 -3.2440 -8.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -2.6950 -7.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -2.4190 -8.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -1.3810 -7.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -6.7560 -6.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -1.1170 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -0.8230 -0.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -0.4690 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 0.4570 -4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 0.9110 -3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7570 0.0730 -4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 -1.9410 -4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 -1.4860 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -4.8920 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -3.9440 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -3.1770 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -6.3930 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -7.0650 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -7.7660 -2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -4.9730 -6.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -4.4120 -8.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -6.9280 -9.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -5.5540 -9.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.4200 -7.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -4.8600 -9.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 -3.1390 -6.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -1.9750 -9.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 -1.7320 -8.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -3.3550 -8.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -1.5590 -6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -0.6550 -6.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -0.9940 -7.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -6.7020 -5.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -7.7960 -6.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -6.1840 -6.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -1.0130 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 0.5640 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -0.4880 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 M END