MDPI-ZINC01719369 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.3320 1.3210 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -0.0950 0.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -0.5770 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 0.1760 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -0.4660 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 -1.8700 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -2.6340 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -1.9720 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -2.7190 0.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -4.1350 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 -4.0570 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 -2.5490 -0.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3570 -2.4580 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 -1.9140 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 -1.7030 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6920 -1.1290 -3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9290 -0.7700 -2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2140 -0.9800 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2730 -1.5460 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4390 -0.6230 -0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9120 -0.2040 -3.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.5420 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 1.7540 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 1.7720 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 1.2620 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 0.1530 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -2.0630 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -4.5410 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -4.5340 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 -4.5790 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 -4.2630 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -1.9740 -2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 -0.9740 -4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5330 -1.6920 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9130 -0.2480 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5850 -0.0820 -4.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -4.6860 0.4710 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7950 -5.7050 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 -4.5390 1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 1 37 1 M END