MDPI-ZINC04235246 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 1.1360 1.3330 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -0.0570 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -0.7070 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 0.0670 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 1.4570 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 2.1010 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 3.4930 0.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 4.0780 -0.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 5.4700 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 6.1790 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 7.5630 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 8.2390 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 7.5530 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 6.1690 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 10.0240 -0.0370 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 10.2610 0.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 10.2400 1.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -2.0990 -0.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -2.7320 0.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -4.1170 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -4.8330 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -6.2170 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -6.9320 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -8.3240 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 -8.9650 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -8.2430 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -6.8710 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -6.1990 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -4.8090 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -4.0980 0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7650 -8.8700 -0.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -7.0750 0.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -7.6320 -1.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -8.0370 1.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 1.8280 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -0.6340 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -0.4190 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 2.0450 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 5.6470 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 8.1090 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 8.0910 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 5.6280 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -4.3060 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -8.9420 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -10.0360 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 -6.3010 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 -3.1620 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -9.8640 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 -8.3410 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 10.5110 -1.3610 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7600 -6.0050 0.2290 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 50 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 29 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 34 2 0 0 0 0 32 51 1 0 0 0 0 M CHG 1 50 -1 M CHG 1 51 -1 M END