REMARK  Name = LIG000840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.123  -0.383  -0.178  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        2.934  -0.170  -0.879  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.765  -0.055  -0.150  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        0.401   0.191  -0.627  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -0.407   0.288   0.497  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        0.316  -0.054   1.715  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        0.081   0.276  -1.796  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.721  -0.192   1.235  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        2.877  -0.462   1.939  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        4.076  -0.573   1.220  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.865   0.311   0.463  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -2.438  -1.080   0.148  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -1.894  -2.131   0.487  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -3.683  -1.101  -0.438  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.072  -2.018  -0.612  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.509  -0.037  -0.700  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -5.661  -0.211  -1.086  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -3.960   1.338  -0.399  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -2.443   1.358  -0.489  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  N   LIG    1        5.314  -0.625  -0.873  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1        5.351  -0.197  -1.794  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1        6.155  -0.455  -0.332  0.00  0.00    +0.142 HD
ENDBRANCH   1  20
TORSDOF 2