MDPI-ZINC03844583 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 0.1040 1.5880 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 0.3800 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -0.2830 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 0.2600 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 1.4650 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 2.1300 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -0.3890 -0.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -0.4560 0.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 -0.9950 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8580 -2.3710 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 -2.9190 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2710 -2.1080 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5460 -2.6690 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 -1.8560 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 -0.4850 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 0.0790 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1360 -0.7100 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 -0.1590 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 1.2290 0.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 1.8040 -0.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3490 3.1890 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2640 3.7390 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 5.1220 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1130 5.9560 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1880 5.4290 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3030 4.0460 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0410 7.3120 0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3120 -2.6030 -0.3820 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1810 -1.7010 0.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1370 -3.9240 0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 2.1060 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -0.0460 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -1.2260 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 1.8890 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 3.0680 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -3.0210 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 -3.9940 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6650 -3.7410 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4630 0.1410 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2470 1.1540 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 3.0820 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 5.5230 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9350 6.0890 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1420 3.6310 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2490 7.5360 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4830 -2.5810 -1.8320 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 M CHG 1 46 -1 M END