MDPI-ZINC03847303 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.0020 1.4400 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -0.0880 -0.0800 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5500 -0.4370 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -0.5370 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -1.6040 1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -1.9880 2.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -1.3060 3.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -0.2260 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 0.1600 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 1.3120 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.0910 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 2.1610 -1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 3.4560 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 3.6860 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 2.6110 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 2.8270 2.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 4.9580 0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 6.0120 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 1.9710 -2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 0.5610 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 -0.3300 -1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 -1.7670 -2.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 0.4510 2.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -1.6930 4.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -2.8110 5.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -2.3770 1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -2.0900 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -0.2820 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 1.8390 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 1.7590 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 1.8120 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -2.8280 3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 4.2920 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 2.9270 2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 6.9730 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 5.9670 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 5.8990 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 2.1160 -3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0630 2.7020 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2130 0.3690 -3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 0.4670 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -0.6960 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -0.9530 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 -2.0750 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -1.7890 -3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -2.4480 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 0.1030 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -3.0140 5.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -2.5880 5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -3.6860 4.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -3.4440 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -2.0810 2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -2.5330 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -2.5120 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -0.6920 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 0.8030 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -0.6970 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -0.4030 -2.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -0.6320 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 59 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 26 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 58 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 58 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 58 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 59 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 59 1 0 0 0 0 M END