MDPI-ZINC03845005 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 0.1730 1.5180 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 0.1530 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -0.5430 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 0.1330 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 1.5120 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.1940 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -0.6030 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 0.0500 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 -0.6860 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 -2.0810 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3700 -2.7640 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5230 -2.0820 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4910 -0.6870 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 0.0030 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3080 1.4790 -0.2880 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3220 2.0420 -0.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 2.1310 0.0620 O 0 5 0 0 0 0 0 0 0 0 0 0 9.5870 -2.9550 -0.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1590 -4.3390 -0.3420 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7380 -4.7900 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 -4.2450 0.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0560 -4.7760 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4770 -4.7710 1.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3140 -5.1420 -1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7530 -6.4520 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8950 -7.1880 -2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5980 -6.6150 -3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1580 -5.3060 -3.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0120 -4.5710 -2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 2.0580 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -0.3680 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -1.6080 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 2.0410 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 3.2590 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -1.6680 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 1.1150 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 -2.6220 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 -0.1490 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4800 -2.6860 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 -4.6890 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9850 -6.8990 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2380 -8.2110 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7100 -7.1900 -4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9260 -4.8590 -4.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6650 -3.5500 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 40 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 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END