MDPI-ZINC03846721 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 2.0170 2.4650 -4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 2.9560 -3.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 2.1250 -3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 0.7830 -3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 0.2940 -3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 1.1380 -4.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 -0.1130 -2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 0.3560 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 1.7020 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 2.1240 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 3.3980 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 4.2440 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 3.8200 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 2.5560 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 2.1080 -0.8560 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7290 2.8110 -0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9760 1.0370 -1.4030 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6680 5.5970 0.7700 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6000 6.3710 0.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 5.9370 1.1060 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4370 3.8540 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 3.2370 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 2.2110 2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 2.3170 2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 1.3530 3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 0.2830 3.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 0.1720 3.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 1.1310 2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 5.1860 -0.6160 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 3.1220 -4.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 3.9940 -4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 2.5090 -2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -0.7420 -3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 0.7610 -4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 -1.1460 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3680 -0.2520 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 1.4670 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0150 4.4770 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 3.4930 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 3.1510 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 1.4330 3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 -0.4690 4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -0.6660 3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 1.0460 2.2710 H 0 0 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 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 37 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 39 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 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 18 1 M CHG 1 20 -1 M END