MDPI-ZINC04293612 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 -0.8870 1.7360 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 0.5820 0.2290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2350 0.9590 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -0.3490 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -1.4060 0.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 0.1260 -0.7610 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -0.5420 -1.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3310 -1.0710 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 -1.5080 -2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -2.7850 -1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -3.8490 -3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -3.4310 -4.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 0.5160 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 1.6330 -1.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -0.2440 0.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 0.1540 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 1.2720 0.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -0.9560 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 -0.6940 1.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 -1.6720 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 -1.4260 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 -0.2010 1.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -0.0400 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1890 -0.8290 4.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8450 1.3030 3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 1.9650 4.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7930 3.2680 4.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7760 3.8670 2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2840 3.1750 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8260 1.8940 2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2810 0.9240 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1570 1.1310 -0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 2.4070 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 2.3290 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 1.3690 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 1.0240 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -1.7940 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -0.9940 -3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -2.5610 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -3.2100 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -1.1700 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.0390 2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -1.9000 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -1.6260 2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -2.6690 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 -2.2560 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 -1.3770 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3300 1.4950 5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1810 3.8290 5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1540 4.8820 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2680 3.6280 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -5.0360 -2.6040 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.2960 0.1550 -1.2840 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 52 1 0 0 0 0 13 14 2 0 0 0 0 13 53 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 M CHG 1 52 -1 M CHG 1 53 -1 M END