MDPI-ZINC03847475 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.1550 0.8160 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 0.9870 2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 1.4950 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 2.9980 3.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 3.6530 5.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 5.0420 5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 5.7650 3.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 5.1370 2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 3.7350 2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 3.0480 1.3170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3330 3.2560 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 3.5810 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 3.3710 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 3.9480 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 3.1450 -2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 3.6800 -3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 5.0180 -3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 5.8430 -2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 5.3030 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2520 7.1380 -2.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 8.0130 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7110 5.5330 -4.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 7.1330 3.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 5.8050 6.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 5.1080 7.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.2630 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.1350 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 1.0670 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 1.3190 2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -0.1070 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 1.0790 3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 1.1450 4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 3.0510 5.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 5.7640 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 4.6520 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 3.1310 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 2.3050 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 3.8370 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 2.0980 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 3.0630 -4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 5.9130 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 8.9920 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 7.6600 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 8.1420 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 6.4710 -4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 7.3630 4.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 4.5400 7.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 5.8520 8.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 4.4590 7.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 1.5130 1.3760 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8160 1.2540 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 50 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 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 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END