MDPI-ZINC03846012 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 0.2420 1.4740 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.0460 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -0.5880 1.3450 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6990 -0.3920 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -2.1010 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -2.1110 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -0.5970 0.2620 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6860 -0.0140 1.6630 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4360 -0.6240 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -0.0450 2.4180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3700 -0.6850 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 1.5690 4.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 3.0740 4.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 3.6880 3.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 4.6360 4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 1.3320 1.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 1.3260 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -0.3520 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -0.6680 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 1.7840 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 1.7510 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 2.0970 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -2.6450 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.5820 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -2.6840 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -2.5800 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 1.0490 4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 1.1500 4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 3.3040 5.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.4850 4.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -0.8330 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 -0.7560 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 0.7160 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -0.3740 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -1.7580 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -0.3150 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 1.3380 2.8560 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8050 1.7320 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 1.9160 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 19 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 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 1 37 1 M END