MDPI-ZINC03846125 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 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 3 0 0 0 0 0 0 0 0 0 0.5200 -0.3730 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.5440 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -0.4570 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -0.8520 1.5450 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4340 -0.5640 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -1.8560 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 0.4700 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -2.3400 1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -0.0140 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -0.2710 3.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 0.3940 3.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 1.1660 3.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 0.1830 5.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 0.8720 6.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 0.6780 7.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 -0.2120 8.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -0.9020 7.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 -0.7110 6.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 -0.4070 9.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 -1.2270 10.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -1.4200 11.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 -2.3470 12.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -3.0600 11.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -3.9140 12.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -4.0860 13.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 -3.4080 14.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -2.5190 13.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5790 -1.8010 14.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3060 -0.9440 13.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -0.7340 12.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 0.1360 11.3050 O 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 0.9960 -1.5770 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 0.0870 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -1.1580 3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 0.5600 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -2.5850 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -2.2570 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -1.6460 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 0.6860 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 0.0760 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 1.3860 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -2.5380 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -2.6150 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -2.9280 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 1.0440 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -0.2820 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 1.5600 5.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 1.2110 7.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -1.5890 8.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -1.2470 5.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -2.9350 10.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -4.4640 12.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -4.7680 14.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 -3.5520 15.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -1.9320 15.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1280 -0.4070 13.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5290 -0.2670 10.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 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 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 32 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 33 62 1 0 0 0 0 M END