REMARK  Name = BDB022272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.469   2.889  -2.519  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.503   1.741  -1.625  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -1.313   1.298  -0.976  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.366   0.201  -0.095  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.193  -0.152   0.610  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.027   0.517   0.427  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        1.065   1.562  -0.490  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.643  -0.546   0.090  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -3.735  -0.043  -0.505  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1       -0.090   1.957  -1.174  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.728   1.148  -1.378  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -4.798   1.529  -1.847  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.159   0.066   1.134  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        1.919  -0.310   2.050  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.542   0.192   0.866  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        4.483   0.296   1.907  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        5.820   0.457   1.568  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        7.076   0.597   2.739  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        6.285   0.523   0.304  0.00  0.00    -0.227 NA
ATOM     20  CA  LIG    1        5.375   0.421  -0.691  0.00  0.00    +0.151 A 
ATOM     21  C   LIG    1        4.014   0.259  -0.453  0.00  0.00    +0.059 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.076   0.237   3.275  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        3.684   0.163   4.365  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
BRANCH  20  24
ATOM     24  C   LIG    1        5.924   0.491  -2.082  0.00  0.00    +0.355 C 
ATOM     25  O   LIG    1        7.094   0.594  -2.401  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  OXT LIG    1        4.962   0.431  -3.026  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1        5.468   0.484  -3.867  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  N   LIG    1       -2.606  -1.708   0.863  0.00  0.00    -0.326 N 
ATOM     29  H   LIG    1       -1.740  -2.225   0.724  0.00  0.00    +0.148 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.800  -2.587   1.014  0.00  0.00    +0.120 C 
ATOM     31  C   LIG    1       -4.023  -3.196   2.389  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -4.954  -2.137   1.887  0.00  0.00    +0.044 C 
BRANCH  30  33
ATOM     33  C   LIG    1       -4.095  -3.454  -0.117  0.00  0.00    +0.088 C 
ATOM     34  N   LIG    1       -4.314  -4.155  -1.016  0.00  0.00    -0.194 NA
ENDBRANCH  30  33
ENDBRANCH  28  30
ENDBRANCH   8  28
TORSDOF 8