REMARK  Name = BDB045690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.093  -0.216   0.671  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1        2.189  -1.285   0.600  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.825  -1.092   0.436  0.00  0.00    +0.077 A 
ATOM      4  N   LIG    1        0.007  -2.151   0.377  0.00  0.00    -0.239 NA
ATOM      5  CA  LIG    1       -1.351  -1.981   0.215  0.00  0.00    +0.158 A 
ATOM      6  C   LIG    1       -1.918  -0.697   0.105  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -1.033   0.390   0.170  0.00  0.00    +0.059 A 
ATOM      8  N   LIG    1       -1.780   1.536   0.044  0.00  0.00    -0.352 N 
ATOM      9  H   LIG    1       -1.411   2.477   0.054  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -3.112   1.250  -0.100  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -4.201   2.119  -0.256  0.00  0.00    +0.065 A 
ATOM     12 CL   LIG    1       -3.976   3.823  -0.289  0.00  0.00    -0.081 Cl
ATOM     13  C   LIG    1       -5.476   1.573  -0.385  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -5.650   0.196  -0.357  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.550  -0.661  -0.201  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.242  -0.140  -0.067  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        0.362   0.228   0.337  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        1.253   1.319   0.401  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        2.619   1.088   0.567  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   5  20
ATOM     20  C   LIG    1       -2.103  -3.268   0.172  0.00  0.00    +0.356 C 
ATOM     21  O   LIG    1       -3.299  -3.428   0.041  0.00  0.00    -0.243 OA
BRANCH  20  22
ATOM     22  OXT LIG    1       -1.232  -4.305   0.308  0.00  0.00    -0.476 OA
ATOM     23  HXT LIG    1       -0.319  -3.938   0.400  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   5  20
BRANCH   1  24
ATOM     24  O   LIG    1        4.397  -0.594   0.830  0.00  0.00    -0.492 OA
BRANCH  24  26
ATOM     25  C   LIG    1        5.957   0.896  -0.278  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1        5.390   0.408   1.044  0.00  0.00    +0.225 C 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 4