MDPI-ZINC04204385 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 57 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.6140 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6690 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1190 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6960 -2.5130 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8380 -2.2990 -3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -4.2220 -2.4420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7410 -4.6170 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -4.7960 -3.8620 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8910 -4.4400 -4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -4.3320 -4.5380 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1180 -4.7290 -3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -2.8020 -4.5270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4770 -2.4060 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -2.3330 -3.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -2.3630 -5.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 -1.0230 -5.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -0.5270 -5.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 0.8340 -5.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 1.7030 -5.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 1.2110 -5.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -0.1500 -4.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 3.1620 -5.7820 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2360 3.5960 -6.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 3.9280 -5.4400 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2900 -4.8100 -5.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -5.0580 -6.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 -4.8800 -5.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -5.5560 -7.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -6.2460 -3.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -6.8910 -4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -6.2630 -5.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -8.3960 -4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -4.5940 -1.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -4.7370 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -4.5570 0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -5.1220 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -2.4460 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -2.4700 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 -1.2050 -6.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 1.2210 -6.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 1.8920 -4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -0.5340 -4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 -4.7070 -8.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 -6.1800 -7.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -6.1430 -8.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -8.7400 -3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -8.7360 -5.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -8.8020 -4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -5.2410 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -6.0630 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -4.3420 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 54 1 0 0 0 0 38 55 1 0 0 0 0 38 56 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END