MDPI-ZINC03851928 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 73 0 0 1 0 0 0 0 0999 V2000 -0.1060 1.8880 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 0.3800 -0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3900 0.1460 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -0.2930 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -0.8580 1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -0.1800 -0.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -0.7820 -0.8010 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5000 -1.6980 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -1.1070 -2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -2.2070 -2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -2.5680 -4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -1.7160 -4.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 0.1360 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 1.4640 -0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 1.8050 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 2.1160 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6840 -0.2570 0.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -0.2060 0.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -0.0670 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 0.5860 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -0.8080 2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -0.6670 1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 -1.4200 3.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 -1.2810 3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3850 -1.9910 4.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7580 -1.9880 4.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5080 -1.3920 3.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 -2.7880 5.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8290 -2.7050 5.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3750 -3.4980 6.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9530 -4.9700 6.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4200 -5.0760 6.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8810 -4.2790 5.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8430 -4.4860 7.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2570 -3.0110 7.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7910 -2.9160 8.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7180 -2.2160 6.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 2.3910 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 2.3110 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 2.1350 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 0.3100 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 -1.4260 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -0.1970 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -1.9020 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -3.1120 -2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.7490 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -0.4150 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -1.8670 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -1.0480 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 0.3950 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8620 -1.0390 4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 -2.4820 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1260 -1.6840 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 -0.2280 3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 -2.4980 4.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2650 -3.0970 4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1510 -1.6580 5.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4680 -3.4270 6.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3790 -5.4000 5.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3510 -5.5520 7.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -6.1270 6.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7910 -4.3930 5.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2690 -4.7030 4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7490 -4.5690 7.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 -5.0590 8.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8460 -2.5990 8.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1860 -3.4620 8.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 -1.8700 8.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9890 -1.1570 6.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6220 -2.2520 6.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 -3.6870 -4.7010 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 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 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 71 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 28 37 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 36 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 M CHG 1 71 -1 M END