MDPI-ZINC03850631 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -1.3510 -2.9030 -3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -3.0360 -2.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -2.1680 -2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -1.2150 -3.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -0.3240 -3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 -0.4040 -2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -1.3580 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -2.2390 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -3.1740 -0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -3.1900 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 0.5370 -2.0380 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6720 0.5380 -1.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 1.3100 -2.9610 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9770 0.6970 -4.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 0.3790 -5.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 2.1040 -3.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 3.0920 -4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 4.4030 -4.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 4.7470 -3.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 3.7620 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 2.4490 -2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 6.1600 -3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 6.5070 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 7.8240 -1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 8.7990 -2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 8.4600 -3.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 7.1470 -4.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -1.9080 -3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -3.0460 -4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -3.6530 -3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -1.1570 -3.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 -1.4190 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -3.3710 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -2.2300 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -3.9830 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 2.8260 -5.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 5.1660 -5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 4.0300 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 1.6870 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 5.7470 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 8.0940 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 9.8280 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 9.2250 -4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 6.8850 -4.9620 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 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 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 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 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 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 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 38 1 0 0 0 0 21 39 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 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END