MDPI-ZINC04235578 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7430 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6780 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.0300 -2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.6420 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -2.0480 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.7560 -2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.0800 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.7720 -4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -2.6530 -5.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -1.8430 -5.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -1.7340 -6.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -2.4280 -7.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -2.3170 -8.3360 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4830 -1.4730 -7.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 -3.0430 -9.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.2370 -7.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -3.3540 -6.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -3.6180 -5.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -5.0060 -5.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -5.7880 -5.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -5.2110 -5.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -3.8330 -5.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -3.0420 -5.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 -6.0120 -6.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 -7.4600 -6.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6990 -5.4070 -6.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 -5.0380 -7.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 -5.9510 -8.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 -5.6120 -10.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -4.3610 -10.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -3.4480 -9.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4460 -3.7850 -8.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.0400 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -1.3820 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -1.3580 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.1100 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.0960 -4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -3.8360 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.6240 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -1.3070 -4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -1.1110 -6.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -2.0660 -7.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 -1.0740 -8.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 -0.6490 -7.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -2.4190 -10.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3630 -3.2860 -9.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -3.9620 -9.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.7720 -8.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -3.9800 -7.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -5.4540 -5.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -6.8570 -5.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -3.3900 -5.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -1.9750 -5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 -7.9370 -5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 -7.8450 -7.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -7.6770 -6.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4790 -6.1200 -6.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 -4.5110 -5.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 -6.9290 -8.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8850 -6.3260 -10.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 -4.0970 -11.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -2.4700 -10.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0450 -3.0700 -7.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 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 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 2 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 32 33 2 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 M CHG 1 15 1 M END