REMARK  Name = BDB003835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.543   0.046  -1.224  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -0.179   0.650  -0.100  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -1.677   0.309  -0.340  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -2.086  -0.898   0.517  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -1.387  -1.382   1.402  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.293  -1.476   0.212  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -3.282  -2.443   0.524  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -4.462  -0.993   0.730  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.273  -1.788   1.206  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.694   0.496   0.821  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.047   1.330  -0.271  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.553   1.532  -0.029  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.699  -0.055  -1.839  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -0.356  -0.744  -2.054  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1        6.199   0.123   1.018  0.00  0.00    +0.174 C 
ATOM     16  N   LIG    1        4.825   0.345   0.643  0.00  0.00    -0.249 N 
ATOM     17  C   LIG    1        4.070  -0.421  -0.203  0.00  0.00    +0.163 A 
ATOM     18  C   LIG    1        2.819   0.175  -0.251  0.00  0.00    +0.078 A 
ATOM     19  C   LIG    1        1.836  -0.428  -1.060  0.00  0.00    +0.135 A 
ATOM     20  N   LIG    1        2.221  -1.532  -1.762  0.00  0.00    -0.220 NA
ATOM     21  C   LIG    1        3.473  -2.010  -1.622  0.00  0.00    +0.225 A 
ATOM     22  C   LIG    1        2.954   1.308   0.582  0.00  0.00    +0.148 A 
ATOM     23  N   LIG    1        4.463  -1.525  -0.860  0.00  0.00    -0.216 NA
ATOM     24  N   LIG    1        4.167   1.418   1.137  0.00  0.00    -0.177 NA
ENDBRANCH   1  19
TORSDOF 1