MDPI-ZINC03846834 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 69 0 0 1 0 0 0 0 0999 V2000 0.0010 1.4920 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0400 0.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7150 -0.5100 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -2.0380 1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -2.5300 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -3.2790 0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -2.0500 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -0.5230 -1.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7710 -0.0860 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.0970 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -0.6320 -2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -0.0790 -1.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0140 1.0240 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5830 0.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3100 -1.6730 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -0.2400 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -1.0650 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -1.4450 -0.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5820 -0.3600 -1.1120 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0990 0.5830 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 -0.8830 -2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 -1.4390 -1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -1.5180 -0.3150 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8680 -2.4560 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1230 -0.4010 0.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4540 -0.6660 0.7430 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0220 -1.1300 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1260 0.6480 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5310 0.3500 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4230 -0.6350 2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7010 -1.8990 2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4140 -1.5480 1.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -2.8220 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 1.8610 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.8690 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.8370 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -0.1210 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -0.1230 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.3620 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -2.4360 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -2.3550 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -2.4990 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 0.9870 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -0.5080 -3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -0.2900 -3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -1.7180 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -0.4520 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 0.8240 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -1.9700 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -0.4760 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -0.0660 -3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -1.6660 -2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4270 -0.7650 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 -2.4300 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5370 1.1330 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1980 1.3050 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9940 1.2740 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1360 -0.0900 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8600 -0.1760 3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4220 -0.8960 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5830 -2.5860 3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2850 -2.3800 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -3.5490 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -3.1270 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -2.7700 -0.5290 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 8 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 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 31 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 M END