MDPI-ZINC03845394 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.0660 1.5300 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 0.0000 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -0.4700 -1.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -1.8040 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5540 -0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -2.3530 -2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -1.5050 -3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -2.0780 -4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -1.2810 -5.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -1.8680 -6.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -3.2510 -6.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -4.0530 -5.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -3.4860 -4.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -4.2580 -3.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -3.7460 -2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -4.5910 -1.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -5.9080 -1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -6.3540 -2.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -6.8080 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -8.1720 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -9.0070 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -8.4950 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -7.1440 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -6.2970 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 1.8890 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 1.9080 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.8820 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -0.3780 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -0.3600 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.4360 -3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -0.2080 -5.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -1.2540 -7.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -3.6930 -7.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 -5.1240 -5.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -4.2350 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -8.5730 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -10.0620 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -9.1530 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -6.7510 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -5.2420 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 15 2 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 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 19 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 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END