MDPI-ZINC04264915 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 69 0 0 1 0 0 0 0 0999 V2000 -0.4140 1.0020 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -0.4250 0.1510 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0860 -0.9730 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -1.1350 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -1.2040 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.0940 3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -2.6860 2.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -0.4920 -1.3050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4300 -0.0170 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -1.9730 -1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -2.0650 -3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -0.6190 -3.6910 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3530 -0.3140 -3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.1440 -2.5000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0400 1.6330 -2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 2.4440 -1.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 2.0990 -4.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.2120 -5.1630 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7200 1.2020 -4.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -0.2580 -5.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7000 -0.3280 -5.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -1.1910 -5.7760 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0280 -1.5150 -5.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -0.5350 -6.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 0.5290 -7.6050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0470 0.0360 -7.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.7450 -6.6370 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3690 2.5400 -7.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 2.9760 -8.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 1.8450 -9.5770 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6330 1.2040 -9.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 0.9720 -9.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 2.3920 -10.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 2.9680 -10.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 2.6890 -6.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -2.3600 -6.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -2.9320 -5.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -0.0860 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 1.5980 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 1.5090 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 1.0110 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -2.1600 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -0.6300 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -0.2020 3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -1.5830 2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -2.2750 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.6670 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -2.6630 -3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -2.5430 -3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 3.1310 -4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.0930 -4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -1.2980 -7.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -0.0800 -6.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 3.4360 -6.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 1.9250 -7.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 3.8050 -8.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 3.4020 -8.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 0.0990 -9.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 1.4940 -9.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 3.5240 -5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 3.1290 -7.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 2.1640 -6.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 0.6050 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 0.0600 -3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -1.1040 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -2.1230 4.7060 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 2 0 0 0 0 6 66 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 1 0 0 0 0 27 35 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 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 32 1 0 0 0 0 30 33 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 M CHG 1 66 -1 M END