REMARK  Name = BDB018592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.194  -0.924   1.255  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        0.985  -0.378   0.787  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1        1.361   0.254  -0.505  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1        2.799   0.523  -0.576  0.00  0.00    -0.294 N 
ATOM      5  C   LIG    1        3.453   0.933   0.674  0.00  0.00    +0.131 C 
ATOM      6  C   LIG    1        3.257  -0.101   1.772  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        3.304   0.813  -1.839  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1        2.616   0.753  -2.857  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1        4.758   1.198  -1.931  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1        1.870  -0.505   1.821  0.00  0.00    -0.265 N 
ATOM     11  N   LIG    1        1.366  -1.102   2.914  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1        0.099  -1.351   2.569  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -2.210   0.122   0.121  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1       -1.431  -1.049   0.543  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1       -1.913  -2.272   0.245  0.00  0.00    +0.101 A 
ATOM     16  N   LIG    1       -3.096  -2.459  -0.448  0.00  0.00    -0.317 N 
ATOM     17  C   LIG    1       -3.523  -3.820  -0.737  0.00  0.00    +0.152 C 
ATOM     18  C   LIG    1       -3.867  -1.395  -0.891  0.00  0.00    +0.255 A 
ATOM     19  O   LIG    1       -4.918  -1.496  -1.518  0.00  0.00    -0.268 OA
ATOM     20  C   LIG    1       -3.357  -0.041  -0.560  0.00  0.00    +0.116 A 
BRANCH  13  21
ATOM     21  O   LIG    1       -1.659   1.328   0.500  0.00  0.00    -0.491 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -1.936   3.010  -1.229  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -2.311   2.553   0.170  0.00  0.00    +0.226 C 
ENDBRANCH  21  23
ENDBRANCH  13  21
ENDBRANCH   1  14
TORSDOF 3