MDPI-ZINC03846506 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 0.2990 1.6000 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 0.1620 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -0.4970 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 0.1990 2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -0.4660 3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -1.8320 3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -2.5340 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -1.8790 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -2.6180 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -1.9990 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.5290 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 0.0270 -2.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -2.8540 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -3.9990 -2.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -2.3380 -3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -3.4910 -4.7630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7760 -4.1250 -4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -2.9640 -6.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -2.9820 -6.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -2.3860 -8.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -1.9360 -8.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -2.2250 -7.1380 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -5.6980 -5.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -6.5150 -5.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -6.4130 -6.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -7.1590 -6.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 -7.9790 -5.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 -8.0620 -4.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -7.3560 -4.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -3.9750 0.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 1.8220 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 1.9720 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 2.1240 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 1.2680 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 0.0870 4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.3520 4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -3.6050 2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -1.6840 -4.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -1.7570 -3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -3.3980 -6.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -2.2900 -8.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -1.4470 -9.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -6.2210 -5.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -5.5030 -6.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -5.7750 -7.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 -7.1140 -7.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -8.7320 -3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -7.4710 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -4.3470 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -4.3850 -4.7910 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5010 -4.5730 -3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -3.8780 -5.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 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 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 50 1 M END