MDPI-ZINC04264771 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6910 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -2.1420 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1380 -2.4420 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -2.7310 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -4.2490 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -4.8780 -0.4370 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4470 -6.1740 -0.7500 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4320 -6.7930 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -6.9640 -1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -8.3050 -2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 -8.0250 -2.5150 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5880 -7.2190 -1.3990 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5530 -7.8310 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -5.9080 -1.1010 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4080 -5.4720 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -4.8970 -2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -4.8700 -2.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -3.8660 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -3.8270 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -2.6340 -1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0460 -7.2210 -1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 -8.6740 -2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -9.2340 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 -10.3750 -2.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -7.3400 -3.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -5.1450 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -2.2770 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -2.4830 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -4.4920 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -4.6440 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -6.3760 -2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -7.2110 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -8.8440 -2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -8.9070 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -3.1310 -3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -1.8470 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -2.9070 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 -7.0480 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -6.4950 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7570 -9.2750 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7460 -8.6630 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -7.9850 -4.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -7.1540 -4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 -6.3940 -3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -5.8250 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -5.5950 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -4.2050 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 4 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 5 23 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END