MDPI-ZINC03845397 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 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 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 0.2470 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -1.8490 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -2.2790 0.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6420 -1.5340 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 -2.4380 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -3.6200 -0.7090 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5340 -4.3640 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -4.0730 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -5.4490 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -6.0110 -1.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 -6.1100 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 -7.3860 -1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3560 -7.9990 -2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4920 -7.3540 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4000 -6.0910 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1750 -5.4680 -0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -3.4630 -2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -4.2150 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -4.0710 -3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -3.1760 -4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -2.4250 -4.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -2.5710 -2.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 -2.8460 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -3.1160 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -0.4630 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -4.1010 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 -3.3740 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -7.8910 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4360 -8.9850 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4530 -7.8390 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2910 -5.5940 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1050 -4.4840 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -4.9140 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -4.6580 -4.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -3.0630 -5.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -1.7250 -4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 -1.9870 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -1.1280 2.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 -1.2060 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 33 46 1 0 0 0 0 46 47 1 0 0 0 0 M END