MDPI-ZINC03845699 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 1.9040 0.4320 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -1.0120 0.9450 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8990 -1.6840 1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -1.5430 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -1.2400 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -0.8220 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 -1.0430 -2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -1.6910 -3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -2.1100 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.8870 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -1.9300 -4.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -1.0350 -5.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 0.2530 -4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2490 0.7100 -4.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 1.9010 -4.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 2.6450 -3.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 3.8790 -2.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 4.5710 -2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 4.0700 -2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 2.8760 -2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 2.1320 -3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 0.9600 -4.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 0.8270 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 0.9320 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 0.6100 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -1.5070 2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -2.7560 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -1.2900 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -1.0440 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -2.6140 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -1.3650 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -0.3220 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 -0.7160 -2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -2.6110 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -2.2140 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 -2.8250 -5.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -1.2620 -6.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 0.1170 -5.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 2.2660 -4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 4.2780 -3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 5.5210 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 4.6370 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 2.5010 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 2 1 M END