MDPI-ZINC03845995 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.0900 1.6300 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.1310 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -0.3070 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -1.6450 1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -1.5550 0.8360 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6400 -1.4090 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -0.2640 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -0.4480 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 0.8170 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -2.8540 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -3.5980 -0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -0.6310 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 1.8330 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.9820 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 2.2430 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -0.3960 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.4070 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -2.4550 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -1.8330 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -1.2640 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -0.6690 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 0.4640 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 1.7470 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 0.4750 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 1.0550 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -0.4610 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -1.7110 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -0.2900 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -3.0200 0.1140 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 M CHG 1 29 -1 M END