MDPI-ZINC03847258 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 39 0 0 1 0 0 0 0 0999 V2000 -0.0270 1.4520 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 0.0720 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -0.6620 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 0.0540 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 1.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1770 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 1.9360 0.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9190 2.6880 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 2.4980 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 2.6760 -1.5450 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9810 3.3810 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1930 1.3470 -1.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 0.5540 -0.1310 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5890 0.9150 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 0.6470 0.3560 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5390 0.5630 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 -0.4300 -0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 -0.8890 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 -0.6580 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 0.6910 -2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3510 1.1170 -3.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 3.1690 -2.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6510 2.4610 -3.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 1.9810 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -0.4510 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -1.7420 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 3.2570 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 1.8120 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 3.4640 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -1.3080 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8140 -1.3850 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 -1.4580 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3830 -0.6310 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 -1.4340 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 4.3930 -3.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 4.6650 -4.0360 H 0 0 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 35 36 1 0 0 0 0 M END