MDPI-ZINC04266232 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4310 -2.1110 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -3.9610 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -4.4300 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -4.7190 2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -5.1490 3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -5.2900 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -5.0010 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -4.5760 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.9740 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -1.2800 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4650 -0.8650 0.2470 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1800 -1.4330 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2470 0.6780 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 1.2460 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7950 -0.0140 -1.4500 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6420 -0.7500 -2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 -0.8560 -3.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 -0.9440 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 -2.3710 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9010 -0.3140 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0380 0.2410 -2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -4.3910 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -4.2800 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -4.6090 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -5.3740 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -5.6250 4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -5.1110 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -4.3540 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -2.2040 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 1.0610 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 0.9240 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 1.9090 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 1.7720 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2830 -3.0130 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4460 -2.3710 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7800 -2.7440 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 0.7300 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9320 -0.3700 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8080 -0.8520 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7770 0.8880 -3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4200 -0.7070 -2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8030 0.7250 -1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 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 15 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END