MDPI-ZINC03845870 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.6490 1.5730 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 0.0590 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -0.3620 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -1.8910 -1.3250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9140 -2.2710 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -2.3820 -2.4940 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6110 -3.9150 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -4.5230 -3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -4.1030 -4.8620 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2480 -4.5180 -4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -2.5710 -4.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -2.0040 -3.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -2.1940 -5.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -1.8620 -5.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -4.7340 -6.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -4.8460 -6.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -1.6890 -2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -2.4470 -1.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -2.3630 -2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 2.0220 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 2.0030 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 1.8520 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -0.3410 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.3540 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 0.0240 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 0.1120 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -4.1890 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -4.3810 -2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -4.2270 -3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -5.6170 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -2.6500 -5.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -1.1100 -5.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -2.4970 -6.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -2.0210 -6.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 -0.7820 -5.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -2.2150 -5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -1.6920 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -2.1880 -2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -0.6540 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -5.0670 -6.9680 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 M CHG 1 40 -1 M END