REMARK  Name = LIG000585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.244   0.015   0.632  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1       -0.677   0.931   0.541  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.154  -1.116   0.390  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -1.651  -1.144  -1.060  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1       -1.195  -1.900  -1.915  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -2.667  -0.271  -1.369  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -2.981  -0.322  -2.329  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.614   0.186  -0.492  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.695   0.606  -0.894  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.251   0.172   0.973  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.364  -1.014   1.322  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     12  C   LIG    1        3.103   1.342  -0.264  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.787   1.232   0.203  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        1.055   0.034   0.110  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        1.724  -1.093  -0.375  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        3.056  -1.016  -0.790  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.745   0.193  -0.720  0.00  0.00    +0.023 A 
BRANCH  12  18
ATOM     18  N   LIG    1        3.829   2.523  -0.066  0.00  0.00    -0.358 N 
ATOM     19  H   LIG    1        4.628   2.621  -0.685  0.00  0.00    +0.142 HD
ATOM     20  H   LIG    1        3.255   3.359  -0.042  0.00  0.00    +0.142 HD
ENDBRANCH  12  18
ENDBRANCH   1  14
TORSDOF 3