MDPI-ZINC03849848 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7460 -0.4990 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 0.0370 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -0.3280 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 -0.8650 -0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -0.0050 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -0.5300 -1.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7350 -1.6270 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -0.1290 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -0.7080 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -0.1640 -1.2180 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2240 0.9360 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.5260 0.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9460 -0.0910 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -2.0520 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -2.5100 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -2.0650 -0.6370 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6460 -0.6360 -1.1480 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2330 0.0700 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 -0.6560 -2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -2.0860 -3.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 -2.9890 -1.8470 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8580 -4.0260 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 -3.6730 -1.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 -2.0800 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9040 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8880 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8780 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.1580 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.5900 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 1.1140 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -0.4330 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 1.0660 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.5060 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 0.9510 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -0.5400 -3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -0.4100 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.7920 -2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -2.5070 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -2.3430 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -3.5880 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -2.0720 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2990 -0.4510 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 0.0820 -3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 -2.3910 -3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 -2.1500 -3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -4.6500 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -4.6490 -2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -3.5190 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 -4.2800 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 -1.3880 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0010 -1.7780 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 -3.0870 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 M END