MDPI-ZINC03844331 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.2700 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.1120 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -0.7670 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -0.0400 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.3420 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 1.9970 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -0.7530 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -0.7800 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 -1.9190 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -1.9430 -3.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 -0.8280 -4.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 0.3110 -3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 0.3360 -1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -0.0490 0.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 -0.3190 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -1.1670 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -1.4110 4.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -0.8560 4.8930 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6040 -0.0480 4.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 0.2520 3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6850 1.1510 2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 1.4860 1.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -1.1390 6.2800 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9640 1.7810 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -0.6800 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -1.8460 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 1.9100 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 3.0760 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 -1.7740 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -2.7890 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -2.8330 -4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 -0.8480 -5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 1.1810 -3.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 1.2280 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 0.6060 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -1.6270 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -2.0680 4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 0.3850 5.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6680 1.6020 3.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 2.1900 2.9180 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 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 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 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 31 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 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 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 18 1 M CHG 1 23 -1 M END