MDPI-ZINC03847302 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 64 0 0 1 0 0 0 0 0999 V2000 0.4120 1.0080 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -0.2270 -0.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0840 -0.1090 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -0.4770 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -1.5070 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -1.7080 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -0.9390 3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 0.0240 3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 0.2930 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 1.3690 2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 1.1240 2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 2.1960 3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 3.5120 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 3.7720 2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 2.7020 2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 2.9860 1.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 4.9990 2.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 6.1350 2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 1.9810 3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 0.5230 3.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -0.2740 3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 -1.7330 4.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 0.7230 4.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -1.0360 4.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 -1.8700 4.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -2.4230 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -2.6820 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -1.5740 -1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 0.9490 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 1.1190 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 1.9310 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -2.4890 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 4.3170 2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 3.9620 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 7.0300 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 6.1440 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 6.1810 3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 2.3520 4.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 2.5730 3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2210 0.3870 4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 0.1590 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -0.8740 2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -0.7500 3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 -2.1990 3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 -1.6920 5.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -2.2680 5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 0.4330 5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 -1.7680 5.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 -2.9210 4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 -1.5560 3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 -1.9690 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -3.3830 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -3.3670 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -3.0790 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -0.6180 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -1.9170 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -2.3160 -2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -0.3260 4.2950 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9490 0.0870 5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -1.3810 -1.1910 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5440 -1.0990 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 60 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 58 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 58 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 58 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 60 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 60 1 0 0 0 0 58 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 58 1 M CHG 1 60 1 M END