MDPI-ZINC04268055 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.1210 1.5180 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 0.1770 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -0.5300 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 0.1110 -0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 1.4650 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 2.1590 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -0.5830 -0.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 0.0110 -1.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 -0.6820 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1420 -0.0370 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3180 -0.7300 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 -2.0870 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1460 -2.7320 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9710 -2.0370 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5100 -2.7800 -1.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5420 -4.0030 -0.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7290 -4.6530 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7760 -6.0730 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0360 -6.7130 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0890 -8.0760 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9320 -8.7600 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6960 -8.1280 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6090 -6.8050 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0340 -6.0240 -0.1390 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 -5.3380 1.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9990 -5.3780 -1.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0030 -10.4700 0.8160 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7460 -11.0240 0.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2400 -10.9550 0.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2100 -5.9750 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1490 -4.6560 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9340 -3.9820 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9210 -2.6660 -1.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6480 -3.7760 -1.0200 S 0 0 0 0 0 0 0 0 0 0 0 0 14.9730 -3.1220 0.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5250 -4.6830 -1.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 2.0660 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -0.3160 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -1.5760 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 1.9670 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 3.2060 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1290 1.0090 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2350 -0.2330 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1590 -3.7780 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -2.5330 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0410 -8.5790 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7930 -8.6920 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1710 -6.4620 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9600 -2.0700 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 -7.1270 -0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0900 -10.5580 2.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3360 -2.6780 -2.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0980 -2.1300 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1340 -11.4630 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -6.8030 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 32 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 33 49 1 0 0 0 0 34 35 2 0 0 0 0 34 36 2 0 0 0 0 34 52 1 0 0 0 0 50 55 1 0 0 0 0 51 54 1 0 0 0 0 52 53 1 0 0 0 0 M END