MDPI-ZINC03845703 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.3470 -2.3920 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -1.9960 -0.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -2.6090 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -3.9000 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -4.5610 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -3.9460 2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -2.6690 3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -1.9960 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -0.5980 2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -0.1860 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -0.5390 -0.1150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0370 -0.1230 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 0.0340 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 1.5630 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 2.1280 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 2.3900 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 2.9080 -3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 3.1630 -4.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 2.9010 -4.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 2.3880 -3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 3.6860 -5.6920 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1720 4.9830 -5.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 3.8660 -6.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6430 2.7580 -6.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -3.4580 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -1.8270 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -2.1860 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -4.3820 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -5.5590 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -4.4640 3.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -2.1910 4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -0.5700 3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 0.0920 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -0.7280 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 0.8870 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -0.3050 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -0.3060 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.9060 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 1.9000 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 2.1910 -1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6560 3.1120 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 3.1010 -5.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 2.1870 -3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3830 5.6720 -5.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 5.3910 -6.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 4.8500 -4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 2.9030 -7.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 4.2730 -7.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 4.5540 -6.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 2.6250 -5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 3.1660 -6.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 1.7960 -6.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 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 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 M CHG 1 21 1 M END