REMARK  Name = BDB027613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.531  -0.861   0.314  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.061  -1.879   1.159  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.278  -1.766   1.537  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.764  -2.770   2.362  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.056  -3.831   2.833  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.234  -3.898   2.466  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.069  -0.757   1.143  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.519   0.183   0.360  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.833  -2.962   1.643  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.247   0.161  -0.064  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.363   1.313  -0.069  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.715   1.401   0.297  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.469   2.482  -0.132  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.982   3.481  -0.894  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        2.682   3.394  -1.242  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        1.851   2.352  -0.862  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.879  -0.898  -0.140  0.00  0.00    -0.319 N 
ATOM     18  H   LIG    1       -2.033  -1.817  -0.550  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -4.035  -0.291  -1.081  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -2.578   0.122  -0.905  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1       -2.399   1.581  -0.444  0.00  0.00    +0.187 C 
ATOM     22  O   LIG    1       -1.994   1.989  -1.780  0.00  0.00    -0.375 OA
ATOM     23  C   LIG    1       -1.891   0.601  -2.196  0.00  0.00    +0.187 C 
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 3