MDPI-ZINC04235592 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 0.2990 1.4350 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 0.0260 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.7810 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.5450 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -1.6420 3.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -2.9170 2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -3.1330 1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -2.0430 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -2.0050 -0.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -0.7470 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -0.3540 -2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -1.2500 -3.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -0.8790 -4.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -1.7480 -5.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -1.3280 -7.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -2.1460 -8.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -3.4070 -7.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -3.8320 -6.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -3.0120 -5.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -4.2770 -9.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -3.8200 -10.2280 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6100 1.0280 -2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 2.1400 -3.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.6260 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 1.9990 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 1.7260 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 0.4400 2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -1.4960 4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -3.7520 3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -4.1210 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 0.0040 -5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -0.3530 -7.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -1.7960 -9.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -4.8080 -6.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -3.3670 -4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -5.4010 -8.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 10 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 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 20 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 2 0 0 0 0 22 23 3 0 0 0 0 M CHG 1 21 -1 M END