MDPI-ZINC04265582 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 2.6610 0.5190 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.5440 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -1.4790 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -2.4800 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -2.5480 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -1.6520 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -0.6510 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 0.2370 -2.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 0.1020 -3.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 0.7550 -4.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 1.9550 -4.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 2.5990 -6.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 2.0290 -7.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 0.8650 -7.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 0.2410 -5.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -1.2570 -6.0410 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -0.7490 -5.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -2.1670 -5.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 2.6060 -8.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 2.1150 -8.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 2.4010 -10.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 1.3480 -11.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 0.0010 -10.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -1.0090 -11.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.6990 -13.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 0.6220 -13.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 1.6510 -12.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 2.9760 -13.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 4.0020 -12.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 3.7110 -10.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 4.7550 -9.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 3.8570 -5.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -3.8190 -0.2090 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -4.2740 -1.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -4.7950 0.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 0.2350 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 1.4840 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 0.6660 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 -1.4290 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -3.1950 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -1.7350 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 2.3930 -3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 0.4440 -8.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.2770 -9.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -2.0360 -11.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -1.4830 -13.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 0.8430 -14.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 3.2200 -14.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 5.0230 -12.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 4.3880 -8.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 4.6390 -6.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 3.6640 -6.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 4.2480 -4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -1.6670 -7.4400 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6900 -3.0620 0.3670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 42 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 54 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 30 2 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 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 35 2 0 0 0 0 33 55 1 0 0 0 0 M CHG 1 54 -1 M CHG 1 55 -1 M END