MDPI-ZINC03847354 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.3220 1.2340 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.1670 0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -0.6830 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 0.0660 -2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -0.5420 -3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -1.9320 -3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -2.6730 -2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -2.0650 -0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -2.7370 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -4.1550 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -4.6790 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 -3.9890 1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -4.5030 2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 -5.7160 3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -6.4180 2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -5.9060 1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -2.6130 -4.3160 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6430 -2.8200 -3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 -0.3230 -5.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.3240 -4.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -3.9200 -4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -4.5690 -5.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 -5.1270 -5.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 -5.6930 -6.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -5.7120 -8.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -5.1720 -8.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -4.6050 -7.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 1.7940 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 1.5410 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 1.4670 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 1.1370 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -3.7310 -1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -4.4390 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -4.6040 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -3.0420 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -3.9560 3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -6.1170 4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -7.3670 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -6.4740 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 0.2210 -6.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 -0.4060 -4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 0.5150 -4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 1.2920 -3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -4.6620 -3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -3.7160 -5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -5.1370 -4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 -6.1260 -6.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -6.1580 -9.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -5.2010 -9.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -4.2020 -7.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -1.7020 -5.5170 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4550 -2.1190 -6.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -1.6610 -6.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 51 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 51 1 M END