MDPI-ZINC03843645 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -1.3700 1.8310 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 0.5530 -0.8340 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6830 0.9570 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 1.4480 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 0.4000 -2.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4430 -0.4770 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -0.0320 -2.9770 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0480 -0.9330 -3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -0.4620 -1.9470 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2220 -1.3230 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -0.9930 -2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -1.0350 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -0.3430 -0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0020 -1.1330 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 0.2670 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 1.0570 1.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 1.0100 -3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 1.5800 -4.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 1.4680 -4.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 0.7780 -3.2350 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9860 -0.5310 -3.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 -0.6410 -5.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 0.6740 -5.8530 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7200 0.5410 -6.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 1.8670 -5.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 0.9640 -5.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 0.7690 -4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 1.6850 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 2.5690 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 1.6240 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 2.3510 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 1.7440 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 0.1020 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 2.3950 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 1.6630 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.3360 -3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -1.9870 -2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -0.5340 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -2.0700 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 0.5300 -4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 1.8480 -3.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 2.0610 -5.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -0.6340 -3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -1.4220 -3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0450 -1.4120 -5.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -0.9960 -5.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 2.2210 -6.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 2.7150 -5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 1.2270 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 1.8600 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 2.6720 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -0.1160 1.2360 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 52 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M CHG 1 52 -1 M END