MDPI-ZINC04235247 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 1.1190 1.3940 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -0.0010 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -0.6870 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 0.0530 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 1.4470 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 2.1290 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 3.5270 -0.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 4.0680 -1.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 5.4680 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 6.1670 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 7.5570 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 8.2490 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 7.5730 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 6.1820 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 10.0440 -0.7540 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 10.3240 -0.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 10.2880 0.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -2.0890 -0.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -2.6600 0.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -4.0600 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -4.8090 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -6.2000 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -6.9070 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -8.3250 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -8.9760 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -8.2340 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -6.8410 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -6.1520 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -4.7350 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -3.9640 0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -6.1440 -0.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -9.3770 0.1200 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -9.0550 1.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -8.8970 -0.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 1.9160 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -0.5540 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 -0.4590 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.0110 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 5.6220 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 8.0960 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 8.1230 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 5.6480 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -4.3200 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -6.7360 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 -10.0580 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 -8.7500 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1070 -3.0370 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 -6.5990 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7260 -5.1290 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 10.4650 -2.1020 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2600 -10.7360 -0.0360 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 50 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 29 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 34 2 0 0 0 0 32 51 1 0 0 0 0 M CHG 1 50 -1 M CHG 1 51 -1 M END