REMARK  Name = BDB045696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -0.109   1.797  -0.060  0.00  0.00    +0.158 A 
ATOM      2  C   LIG    1        0.524   0.545   0.064  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.311  -0.583   0.094  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1        0.496  -1.688   0.217  0.00  0.00    -0.352 N 
ATOM      5  H   LIG    1        0.172  -2.644   0.266  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1        1.819  -1.337   0.269  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1        2.955  -2.148   0.390  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1        4.208  -1.541   0.420  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1        4.315  -0.159   0.329  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.168   0.640   0.208  0.00  0.00    +0.011 A 
ATOM     11 CL   LIG    1        2.814  -3.858   0.501  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -1.720  -0.492   0.007  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -2.248   0.804  -0.113  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1       -3.628   0.930  -0.201  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.474  -0.184  -0.171  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.938  -1.463  -0.052  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.559  -1.627   0.038  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.881   0.055   0.175  0.00  0.00    +0.011 A 
ATOM     19  N   LIG    1       -1.481   1.900  -0.145  0.00  0.00    -0.239 NA
ENDROOT
BRANCH   1  21
ATOM     20  O   LIG    1        1.776   3.336  -0.059  0.00  0.00    -0.243 OA
ATOM     21  C   LIG    1        0.583   3.117  -0.112  0.00  0.00    +0.356 C 
BRANCH  21  22
ATOM     22  OXT LIG    1       -0.343   4.107  -0.234  0.00  0.00    -0.476 OA
ATOM     23  HXT LIG    1       -1.240   3.694  -0.257  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 2