MDPI-ZINC04293002 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.4490 1.0430 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -0.2460 -0.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5170 -0.9870 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -0.0470 -1.3870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3970 -1.0340 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.7520 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 0.0950 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 0.8130 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 2.1980 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 2.8670 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 2.1500 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 0.5410 -2.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -2.2890 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.6800 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -1.0890 3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -0.3230 3.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -0.7110 4.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -1.8630 5.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -2.6290 5.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.2450 4.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 1.7690 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 1.5240 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 0.8310 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.9840 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 0.2940 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 2.7580 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 3.9490 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 2.7000 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 0.8640 -3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -2.3810 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -2.8870 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -2.6040 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -1.2470 2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 0.3780 2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 0.5870 3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 -0.1110 5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -2.1630 6.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -3.5260 5.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -2.8580 4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -0.8380 1.0680 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9940 -0.3100 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 40 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END