MDPI-ZINC03848516 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.8390 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1520 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1050 -0.6640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7630 -1.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -3.2120 -1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -3.1680 -2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -4.2620 -3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -5.3990 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -5.4460 -2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -4.3540 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.2690 1.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.4330 2.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.3070 3.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.9010 4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -1.8780 5.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -3.2550 5.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -4.1330 6.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -3.6800 7.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -2.3480 8.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -1.4140 7.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -0.0310 7.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 0.8640 6.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.4560 5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 1.3850 4.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 0.5490 9.0350 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 0.8080 9.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -0.3440 9.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -2.2810 -2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -4.2280 -4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -6.2530 -3.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -6.3360 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -4.3890 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -3.6060 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -3.6190 4.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -5.1940 6.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -4.3950 8.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -2.0110 9.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 1.9200 6.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 1.6460 3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 1.8960 9.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 2.3060 9.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 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 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 45 46 1 0 0 0 0 M END