MDPI-ZINC03847427 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.0860 0.2710 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 0.6210 2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 1.5310 3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 2.8800 3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 3.6170 4.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 4.8490 4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 5.3280 4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 4.6210 2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 3.3910 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 2.6670 1.3530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3750 2.6690 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 3.4570 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 3.6310 -2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 3.1130 -3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 3.4260 -4.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 2.9150 -2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 3.4350 -1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 6.5310 4.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 5.6720 6.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 5.2330 7.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -0.7430 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 0.3070 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 0.6250 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 0.5390 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -0.3780 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 1.6430 2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 1.0810 4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 3.2030 5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 5.0500 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 3.3150 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 4.5330 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 4.7220 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 3.3120 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 2.0280 -3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 3.5600 -4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 2.9740 -4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 4.5100 -4.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 1.8180 -2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 3.2230 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 2.9860 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 4.5270 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 6.8540 5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 5.9990 7.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 5.1280 6.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 4.3000 7.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 1.1710 1.3230 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9950 1.0750 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 3.0400 -1.2190 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1220 2.0230 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 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 28 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 46 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 48 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 46 1 M CHG 1 48 1 M END