MDPI-ZINC03847482 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 -0.2360 1.4690 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 0.0500 0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -0.5310 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 0.1760 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -0.4950 -2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -1.9010 -3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.6050 -2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -1.9360 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -2.5590 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -3.9750 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -2.6490 -4.1590 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4300 -3.0860 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 -0.4840 -4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.3270 -3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -3.7530 -4.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -4.4590 -5.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -5.2500 -5.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 -5.8710 -6.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -5.7260 -8.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -4.9490 -8.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -4.3220 -7.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 -6.3880 -9.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 -6.3680 -10.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 -7.2300 -11.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 -8.6220 -11.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 -9.4280 -11.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 -8.8500 -12.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -7.4680 -12.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -6.6600 -12.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 1.8630 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 1.9110 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 1.7510 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 1.2610 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -3.6900 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -4.2870 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -4.3110 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -4.4460 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 0.0650 -5.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -0.7920 -4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 0.7270 -4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 1.1780 -3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.5210 -4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -3.3180 -5.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 -5.4020 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -6.4830 -6.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -4.8120 -9.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -3.7320 -7.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -6.7730 -10.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 -5.3400 -10.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 -9.0840 -10.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 -10.5050 -11.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2570 -9.4770 -13.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 -7.0170 -13.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 -5.5830 -12.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -1.7220 -5.2470 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6990 -2.2320 -5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -1.4680 -5.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 55 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 55 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 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 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 M CHG 1 55 1 M END