MDPI-ZINC03851437 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.0160 1.5120 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.0150 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.5150 1.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -1.5930 1.6470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0300 -2.4040 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -2.1260 3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -3.2180 3.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -3.1030 2.3490 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6020 -1.6570 2.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8560 -1.1730 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -0.8730 1.4450 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4100 0.0840 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -0.5280 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -1.9110 1.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 -2.8610 2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -3.5940 2.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -2.1260 3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -3.8000 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -3.8500 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -5.2330 1.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -6.0840 0.9400 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9270 -6.9360 0.5890 N 0 5 0 0 0 0 0 0 0 0 0 0 0.7380 -0.5340 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 1.8830 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 1.8770 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.8660 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -2.4710 3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -1.3520 3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 -1.5410 2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8390 -2.8520 3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 -1.4620 3.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -4.3230 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 -4.5250 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1610 -3.2200 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -3.8460 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -3.3580 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -0.1610 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -1.6240 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -0.1880 -2.1260 H 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 13 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 21 22 2 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 1 21 1 M CHG 1 22 -1 M END