MDPI-ZINC04701290 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 0.0650 1.4710 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.0630 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -0.6250 1.2620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7030 -0.4480 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -0.0180 2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 0.0320 1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.6100 0.4050 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1610 -2.1360 0.5950 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1720 -2.6780 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -2.0960 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -3.1180 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -4.5810 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -5.2460 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 -5.4760 1.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -2.7250 1.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -0.3280 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.6440 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 1.7730 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.8190 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 2.0290 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -0.6230 3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 0.9890 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -0.5050 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 1.0660 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -2.8960 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -5.0580 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -4.7500 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -3.4340 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -0.7710 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -0.7440 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 0.7480 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -0.3070 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -1.7360 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.3030 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -5.5020 -0.6910 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 M CHG 1 35 -1 M END