MDPI-ZINC03850920 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 -0.1500 1.5320 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 0.0130 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.3340 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.5090 1.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1850 -0.1380 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -2.0070 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -2.7200 1.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -2.5570 0.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -4.0140 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -4.3840 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -4.5360 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 0.0940 1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -0.2830 1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -1.0550 2.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 0.2420 1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.1470 2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 0.3470 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0870 1.2250 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1100 1.6140 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 1.1230 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 1.7510 1.4650 N 0 3 0 0 0 0 0 0 0 0 0 0 9.3250 1.4100 2.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 2.5240 0.5640 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8390 1.9880 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 1.9140 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 1.7750 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -0.4500 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 0.1290 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -1.4160 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 0.0380 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -0.5860 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.5100 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 0.9460 2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -1.9870 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -4.4620 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -3.9360 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -5.4690 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -4.0130 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -4.0880 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -4.2710 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 -5.6200 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 0.7640 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2620 -0.8320 3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 0.0470 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 2.3000 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 1.4240 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END