MDPI-ZINC03847572 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -0.0030 1.5110 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 0.0010 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -0.5320 0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.8800 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -0.6730 -2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 -0.9510 -3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -1.4270 -3.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 -1.6460 -2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -1.4040 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -1.6620 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -1.3030 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 -0.6540 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -0.2490 2.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -1.5400 2.5200 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2200 -1.6750 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -2.7780 3.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 -0.4060 4.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 0.9380 5.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 1.8590 5.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 3.1150 5.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 3.4130 6.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 2.5540 6.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 1.3410 6.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 -2.3350 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 1.8770 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.8030 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 2.0180 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.5150 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -0.2270 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -0.2710 -2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -0.7750 -4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 -1.6210 -4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -1.9880 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -2.6220 3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 -3.0560 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -3.6410 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 -1.1190 5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6030 -0.7960 4.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 1.6100 4.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3540 3.8450 5.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 4.3790 7.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 0.6870 6.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 -2.9470 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -0.3370 3.4200 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9860 -0.1150 3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 0.4690 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 44 1 M END