MDPI-ZINC03847275 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.2600 1.0240 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -0.4020 -0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -0.9390 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -0.1150 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -0.6590 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -2.0280 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -2.8580 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -2.3210 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -3.1400 -0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -2.6630 0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9230 -0.4660 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 0.2800 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 -3.1510 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8470 -3.6750 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9180 -2.8230 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2100 -3.3040 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4320 -4.6370 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3620 -5.4890 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0690 -5.0090 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -3.8350 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 -4.9450 0.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 1.3200 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 1.4230 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 1.4180 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 0.9570 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -3.9300 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -3.3820 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7710 0.1640 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -0.7190 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 0.6800 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 1.1010 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -2.3230 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -3.9470 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7450 -1.7820 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0470 -2.6380 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4420 -5.0120 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5350 -6.5300 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2330 -5.6760 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 -1.6960 0.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8700 -2.0930 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -3.6470 2.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -4.4300 2.8460 H 0 0 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 39 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 M END