MDPI-ZINC03850158 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -1.3980 0.1620 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.1430 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -0.9230 -1.1050 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3190 -1.0740 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -2.3700 -0.5280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5730 -2.2580 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -3.2220 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 -4.5480 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -5.2850 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -6.6430 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -7.3330 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -6.6930 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -5.3410 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -4.6230 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -3.1690 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -8.6560 0.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -0.0860 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 1.3390 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 0.0370 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -0.5940 -2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -0.9750 -3.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 0.7860 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -0.7570 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 0.7020 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 0.8020 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -0.7000 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -3.4170 -2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -2.7170 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -5.1790 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -4.3560 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -7.1460 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -7.2410 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -4.8450 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -2.7020 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -3.1350 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -8.9670 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 1.9890 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 1.8440 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 1.3140 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -0.9280 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 0.7160 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 0.4320 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -0.5630 -2.7870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 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 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 M CHG 1 43 -1 M END