MDPI-ZINC03850128 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 0.9640 -1.1330 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -0.3460 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -0.7600 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -0.5290 0.1220 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8760 0.0680 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -1.9730 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -2.2620 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -3.5650 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 -4.6010 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -4.3330 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 -3.0290 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 0.0470 1.4420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3640 -0.0900 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 -0.5360 1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 0.0900 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 1.6170 3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 2.2310 2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 1.5480 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 2.1400 0.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 1.1520 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 1.5280 1.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -0.7880 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -1.0290 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -2.2010 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -1.8400 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.2570 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -0.5090 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -1.4690 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 -3.7700 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -5.6140 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -5.1380 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -2.8440 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 -0.3620 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -1.6150 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -0.3180 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -0.2010 4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 1.8990 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 2.0180 4.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 3.3070 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 2.0810 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 1.8260 -0.8240 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 4 1 0 0 0 0 2 20 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 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 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 M CHG 1 41 -1 M END