MDPI-ZINC04293355 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 84 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 0.0230 -0.7120 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.0990 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -2.8250 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.1100 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.7020 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -0.0850 -2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.0430 -2.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -0.7870 -3.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -2.1290 -3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.8200 -2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -4.2740 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -4.9820 -3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -4.2780 -4.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -2.8700 -4.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -2.2160 -6.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -2.9510 -7.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.3330 -7.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -4.9910 -6.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -0.8670 -6.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -0.2730 -7.4160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3460 -0.5640 -8.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 1.2510 -7.2780 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5880 1.7060 -8.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 1.6570 -6.4660 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7000 1.2430 -5.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 1.1090 -7.1560 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9050 1.3460 -6.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -0.4100 -7.2990 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8400 -0.8640 -6.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 -0.7190 -8.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -0.9570 -8.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 1.7030 -8.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 3.0820 -6.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 1.6950 -6.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 1.9920 -7.4830 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3870 2.6500 -8.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 2.6860 -6.6950 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4770 3.6330 -6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 2.9470 -7.6260 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7290 3.6270 -8.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 1.6190 -8.2350 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3010 1.8020 -8.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 0.9660 -8.9640 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9900 1.6100 -9.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 0.7790 -8.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 -0.3900 -9.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 0.7520 -7.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 3.5300 -6.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 4.9580 -6.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 1.8470 -5.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -6.3300 -3.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -4.8600 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -5.9390 -0.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -4.1780 0.0220 O 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 0.0180 -0.1690 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6160 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -2.4490 -8.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.8920 -8.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -6.0650 -6.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 -0.7200 -7.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -2.0380 -8.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -0.5020 -9.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 1.4010 -8.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 3.4100 -5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -0.2470 -10.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 -0.8540 -10.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -1.0340 -8.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -0.1100 -7.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 5.2880 -6.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 5.3530 -7.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 5.3230 -6.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 1.6380 -4.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -6.6280 -3.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 57 1 0 0 0 0 1 58 1 0 0 0 0 1 59 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 60 1 0 0 0 0 4 5 2 0 0 0 0 4 61 1 0 0 0 0 5 6 1 0 0 0 0 5 56 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 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 62 1 0 0 0 0 19 20 1 0 0 0 0 19 63 1 0 0 0 0 20 64 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 36 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 35 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 47 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 52 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 50 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 49 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 48 70 1 0 0 0 0 48 71 1 0 0 0 0 48 72 1 0 0 0 0 49 73 1 0 0 0 0 50 51 1 0 0 0 0 51 74 1 0 0 0 0 51 75 1 0 0 0 0 51 76 1 0 0 0 0 52 77 1 0 0 0 0 53 78 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 M END