MDPI-ZINC03851440 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -0.4890 1.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -0.6910 0.6500 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5850 0.2560 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -1.7190 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 -1.8400 0.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 -2.2260 -0.7360 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9850 -1.4270 -1.5270 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7970 -1.8980 -2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -1.3100 -0.7370 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3210 -2.3130 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.4760 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -0.1560 -1.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 -0.4940 -1.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 -1.7790 -1.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 0.5580 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 -0.5430 -3.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -3.7340 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 -4.4460 -0.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -5.1530 0.6120 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5430 -5.8610 1.4620 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.4310 -0.5390 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -1.3780 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -2.6790 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 0.6060 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9620 0.2860 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 1.5300 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 0.4390 -3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 -0.8240 -3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 -1.2780 -3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -4.0170 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -3.9980 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1900 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -1.6290 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -0.1790 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 21 22 2 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 1 21 1 M CHG 1 22 -1 M END