MDPI-ZINC04266157 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.6530 1.5550 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 0.1610 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.1470 1.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3050 0.5100 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -1.6530 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -2.2180 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.9750 -0.9930 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4640 -0.6550 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 -0.8090 -0.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -0.1470 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 0.2620 1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 0.6040 1.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 0.8910 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 1.2400 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6460 1.5220 2.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3610 1.4570 4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 1.1100 4.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 0.8320 3.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 0.6700 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 1.9830 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -1.0920 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -0.0730 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 1.6410 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 1.7100 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 2.3080 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -2.1570 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -1.7540 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -3.0010 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -2.5980 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 0.3160 2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8880 1.2910 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 1.7940 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1310 1.6780 4.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 1.0600 5.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 0.5660 4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 1.9480 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 2.3490 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 2.6510 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -0.1610 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -1.9110 -2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -1.2880 -2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 0.0130 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -1.0700 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 0.6720 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 M END