MDPI-ZINC01719198 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 -0.1270 1.4350 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 0.0160 -0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.4870 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 0.2470 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -0.4190 -3.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -1.8210 -3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.5670 -2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -1.8840 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.6140 -0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -4.0650 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 -6.1850 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -6.8260 -4.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -6.1260 -5.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -6.7270 -6.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -4.6480 -5.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 -3.9760 -4.5570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2150 -4.0600 -4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -2.5040 -4.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 1.8730 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 1.8660 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.6750 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 1.3320 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 0.1720 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -1.9440 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -4.4740 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -4.4080 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -6.3220 -3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -6.5920 -2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -6.7320 -3.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -7.8900 -4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 -4.4970 -5.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 -4.2420 -6.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -1.9640 -5.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -2.4320 -4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -4.6900 -3.2090 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2230 -4.5370 -2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 35 1 M END