MDPI-ZINC04293111 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 76 0 0 1 0 0 0 0 0999 V2000 -0.1800 1.5860 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 0.0640 0.1980 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1160 -0.3500 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -0.2990 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 0.1720 -2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -0.1860 -3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -0.7580 -3.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -0.5140 1.3680 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6960 -0.1070 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.2540 2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -1.6240 3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -2.3650 2.7360 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8740 -1.7960 3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -2.0500 1.2670 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9010 -2.6750 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -2.0110 -0.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -4.1400 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -4.2520 2.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3310 -3.5730 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -3.8240 3.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5160 -3.9020 4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -4.7890 2.7570 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1170 -4.8370 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -6.1960 3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -6.6370 2.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4710 -6.6230 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -5.6770 2.6110 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3260 -5.7020 4.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -7.1080 4.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -8.0980 4.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -8.0620 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -9.4290 4.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -10.1790 4.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -9.1680 5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -7.9420 5.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1070 -6.1000 1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -4.3980 3.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -2.5550 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 2.0000 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 1.9990 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 1.8450 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 0.1880 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -1.3790 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -0.3150 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 1.2520 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 0.3890 3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 0.2100 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -1.5400 4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.0630 3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -4.7580 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -4.3960 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -6.1700 4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -6.8870 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -5.0180 4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -5.3660 4.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -7.4180 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 -7.1090 5.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -8.7060 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -8.4450 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -10.4470 3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -11.0730 5.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -9.1320 4.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -9.4000 6.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -5.4230 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -7.1170 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 -6.0600 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -4.9760 3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -2.1330 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -3.6420 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -2.2490 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 0.1320 -4.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -0.1180 -5.5640 H 0 0 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 71 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 37 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 31 1 0 0 0 0 27 28 1 0 0 0 0 27 36 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 35 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 71 72 1 0 0 0 0 M END