MDPI-ZINC03847573 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 0.0870 1.4520 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.0670 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -0.5480 0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -0.6680 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -0.3410 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -0.5380 -3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -1.0760 -3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -1.3920 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -1.1660 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -1.4440 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -1.3140 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -0.8890 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -0.8820 2.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 -1.5820 2.5360 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9830 -2.1990 2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -0.2740 3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 -2.7800 4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -3.8360 5.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -3.5140 6.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -4.5310 6.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -5.8420 6.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -6.1910 5.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 -5.1860 5.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 -1.8010 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 1.7780 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 1.9040 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 1.8450 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -0.4790 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -0.4550 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 0.0700 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -0.2850 -4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -1.2510 -4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9620 -1.8340 -2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 0.3020 3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 0.3590 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 -0.4630 4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -3.1410 4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -1.8820 5.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -2.4780 6.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.3070 7.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -6.6710 6.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 -5.5160 4.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 -1.3870 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -2.3930 3.4300 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9240 -3.2440 2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -1.8580 3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 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 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 44 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 44 1 M END