REMARK  Name = BDB031594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.102   0.339   0.337  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -0.711   1.191   0.732  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.255  -0.727   0.104  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -0.576  -1.661  -0.625  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.087  -0.627   0.832  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        2.207  -0.048  -0.021  0.00  0.00    -0.015 A 
ATOM      7  C   LIG    1        3.518  -0.549   0.114  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        4.538  -0.021  -0.690  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        4.293   1.041  -1.559  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.015   1.577  -1.649  0.00  0.00    +0.000 A 
ATOM     11  N   LIG    1        3.814  -1.653   0.928  0.00  0.00    -0.344 N 
ATOM     12  H   LIG    1        4.778  -1.653   1.249  0.00  0.00    +0.146 HD
ATOM     13  C   LIG    1        2.846  -1.979   1.961  0.00  0.00    +0.102 C 
ATOM     14  C   LIG    1        1.979   1.039  -0.886  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        1.452  -2.018   1.365  0.00  0.00    +0.036 C 
ENDBRANCH   3   5
BRANCH   1  22
ATOM     16  O   LIG    1       -6.309   1.617  -0.612  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.136   1.259  -0.614  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -4.118   2.180  -0.632  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -4.415   3.143  -0.557  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -2.805   1.938  -0.316  0.00  0.00    +0.240 C 
ATOM     21  O   LIG    1       -2.045   2.853   0.001  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1       -2.350   0.478  -0.400  0.00  0.00    +0.160 C 
ATOM     23  C   LIG    1       -3.448  -0.422   0.154  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -4.732  -0.197  -0.630  0.00  0.00    +0.098 C 
ENDBRANCH   1  22
TORSDOF 2