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N2220.xyz
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N2220.xyz
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triethylammonium il.ff
N3 0.00000 0.00000 0.00000
C1A 1.35415 -0.41156 -0.47087
C1A -1.03339 -0.96717 -0.47074
C1A -0.32073 1.37841 -0.47079
CE 1.82045 -1.77684 0.05640
H1 2.11747 0.29570 -0.09133
H1 1.40122 -0.41216 -1.58306
HC 1.22172 -2.61522 -0.34939
HC 1.78877 -1.79290 1.16636
HC 2.86804 -1.95240 -0.26845
H1 -1.31481 1.68586 -0.09099
H1 -0.34395 1.41958 -1.58297
CE 0.62852 2.46492 0.05649
HC 1.65385 2.36580 -0.34955
HC 0.65852 2.44528 1.16644
HC 0.25659 3.45996 -0.26807
H1 -0.80289 -1.98154 -0.09014
H1 -1.05679 -1.00854 -1.58290
CE -2.44923 -0.68768 0.05535
HC -2.44803 -0.65089 1.16526
HC -3.12491 -1.50748 -0.26900
HC -2.87562 0.24953 -0.35190
H3 0.00000 0.00000 1.04814