MDPI-ZINC03846441 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 -0.0070 1.6960 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.1820 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.6840 0.8700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2920 -0.6020 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -0.1740 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 0.0510 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -0.2770 -1.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8270 -1.8040 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -2.6120 -2.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -2.1480 0.3200 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6370 -2.6470 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 -3.0020 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -4.4970 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -5.4240 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -4.8680 1.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 0.2300 -2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -0.1700 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 2.1150 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 2.2690 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 1.9050 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 0.7600 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -0.8890 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 1.0830 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -0.6120 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -2.7870 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -2.7820 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.7390 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -4.7500 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 1.3230 -2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -0.1660 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -0.0820 -3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 0.6140 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -1.0830 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -0.2700 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -6.6560 0.9490 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 M CHG 1 35 -1 M END