MDPI-ZINC03850520 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 36 0 0 0 0 0 0 0 0999 V2000 -0.0540 1.4220 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0070 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -0.6100 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 0.1650 -2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -0.4320 -3.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -1.8250 -3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -2.6040 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -1.9900 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -3.9240 -2.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -4.7080 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -3.9170 -3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -2.6840 -4.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -5.0450 -4.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 -4.9200 -5.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -3.7350 -6.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -2.8480 -5.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 -4.0350 -7.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -3.2930 -8.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 -3.9580 -9.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 -5.2780 -9.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -6.0290 -8.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -5.4400 -7.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 -5.9190 -6.4670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 1.8040 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 1.7790 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 1.7730 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 1.2420 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 0.1760 -3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -2.5880 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -5.9240 -4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 -2.2140 -8.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -3.3900 -10.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -7.1040 -8.8660 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 M END