MDPI-ZINC03846504 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 0.2750 1.5230 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.0910 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -0.6060 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 0.0450 2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.6590 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -2.0200 3.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -2.6770 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -1.9810 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -2.6720 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -2.0160 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -0.5550 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 0.0380 -2.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -2.8240 -2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -3.9700 -2.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -2.2540 -3.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -3.3590 -4.9380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7170 -4.0900 -4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -2.8030 -6.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -2.9760 -6.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -2.3100 -8.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -1.6470 -8.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -1.8300 -7.2170 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -5.3930 -5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -6.2400 -5.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 -7.3890 -6.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -8.1410 -5.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6340 -7.7320 -4.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -6.5770 -3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -5.8210 -4.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -4.0250 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 1.7080 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 1.9310 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 2.0480 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 1.1070 2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.1410 4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -2.5700 4.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -3.7430 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -1.5200 -4.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.7530 -3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -3.5530 -6.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -2.3140 -8.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -1.0620 -9.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -5.9280 -5.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -5.1220 -6.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -7.7060 -7.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -9.0450 -6.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -8.3030 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -6.2180 -3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -4.3650 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -4.1180 -5.0390 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6010 -4.4060 -4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -3.5240 -5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 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 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 30 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 50 1 M END