MDPI-ZINC03850591 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.2560 1.8010 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 1.6120 1.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 0.6350 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 0.4870 1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 -0.4730 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -1.3110 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -1.1510 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -0.1890 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 -2.3800 0.1760 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6410 -3.2240 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1530 -2.8930 1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 -4.0060 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4760 -4.4970 3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6740 -3.8730 3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1220 -2.7680 2.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3660 -2.2800 1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4500 -4.3220 4.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0420 -5.1260 4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -2.0290 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5100 -0.6950 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3230 -0.3540 -2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7580 -1.3380 -3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3730 -2.6610 -3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 -3.0260 -1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -4.4830 -1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 -4.7560 -1.7390 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3270 2.6080 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 0.9010 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 2.1090 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 1.1250 2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 -0.5480 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -1.7850 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -0.1130 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -4.5060 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 -5.3610 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0590 -2.2900 3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7380 -1.4180 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 0.0990 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6230 0.6800 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3980 -1.0800 -4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7210 -3.4300 -3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 -5.3220 -1.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 42 2 0 0 0 0 M CHG 1 26 -1 M END