Up
forcefield mm+
sys 0 0 1
view 40 0.27887 55 15 -0.7779114 -0.4149638 0.4718675 0.1399722 0.6176353 0.7739085 -0.612586 0.6680806 -0.4223821 0.59712 0.20854 -55.78
seed -1111
mol 1
atom 1 - C ** - 0 -3.0851 0.6198 0.0306 2 2 s 6 d
atom 2 - C ** - 0 -3.0634 1.9518 0.0057 3 1 s 3 d 23 s
atom 3 - C ** - 0 -2.0433 2.5121 -0.0009 2 2 d 4 s
atom 4 - C ** - 0 -0.9525 1.662799 -0.0013 2 3 s 5 d
atom 5 - C ** - 0 -0.8229 0.6524 -0.0868 3 4 d 6 s 7 s
atom 6 - C ** - 0 -2.176 0.1143 0.0018 2 1 d 5 s
atom 7 - C ** - 0 0.835 -0.1552 -0.1216 3 5 s 8 s 14 d
atom 8 - C ** - 0 0.9777 -1.8718 0.0393 3 7 s 9 s 13 d
atom 9 - C ** - 0 2.0106 -2.6445 0.0589 2 8 s 10 d
atom 10 - C ** - 0 1.9856 -3.7673 -0.0018 2 9 d 11 s
atom 11 - C ** - 0 0.6989 -4.3935 -0.0011 3 10 s 12 d 24 s
atom 12 - C ** - 0 -0.6646 -3.5859 0.0187 2 11 d 13 s
atom 13 - C ** - 0 -1.2216 -0.9303 -0.1454 2 8 d 12 s
atom 14 - C ** - 0 2.1863 0.7994 -0.0503 3 7 d 15 s 21 s
atom 15 - C ** - 0 2.0917 2.3137 0.0135 3 14 s 16 d 20 s
atom 16 - C ** - 0 3.0687 2.784 0.0029 2 15 d 17 s
atom 17 - C ** - 0 3.0513 4.0908 -0.0138 2 16 s 18 d
atom 18 - C ** - 0 1.8586 4.8143 0.0052 3 17 d 19 s 25 s
atom 19 - C ** - 0 0.8291 4.2399 0.0148 2 18 s 20 d
atom 20 - C ** - 0 0.8957 3.1803 0.0374 2 15 s 19 d
atom 21 - C ** - 0 3.5496 -0.0467 0.0261 2 14 s 22 t
atom 22 - N ** - 0 4.5137 -0.5221 -0.0027 1 21 t
atom 23 - O ** - 0 -4.3573 2.7307 0.0176 1 2 s
atom 24 - C ** - 0 0.7036 -5.9952 0.0016 1 11 s
atom 25 - O ** - 0 1.863999 6.3157 0.01 1 18 s
endmol 1
Powered by
