MDPI-ZINC03843642 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 0.7560 2.6450 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 1.1060 -0.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4910 0.5270 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 0.7450 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 0.1800 2.3510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5800 -0.9090 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 0.6790 1.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6890 1.7470 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 0.5690 -0.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2810 1.1410 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.8540 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -0.8110 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 0.5780 -1.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9020 1.2000 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 0.6430 -1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -0.4310 -1.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 -0.0480 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -0.0940 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 0.1250 3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 0.4190 3.7030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3580 1.8870 4.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 2.5100 4.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 1.5330 5.5800 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4850 2.0240 5.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 0.2310 4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 1.2440 6.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 1.2210 6.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -0.5580 4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 3.0280 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 3.0700 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 3.0420 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -0.5500 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 0.9800 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 0.2630 3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 1.8140 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -1.5870 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -1.1760 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -1.6340 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -0.9590 -2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 0.4660 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 -1.0810 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 -0.2860 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.9480 4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 2.5600 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 3.3530 5.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 2.9300 3.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 0.2180 4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -0.6480 5.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -0.3570 4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -0.5010 5.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -1.5980 4.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 1.7830 -1.9680 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