REMARK  Name = BDB058465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.136  -1.211  -0.551  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.242  -0.936  -0.636  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.994  -0.987   0.522  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -3.360  -0.749   0.730  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -3.648  -0.897   2.106  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -2.435  -1.269   2.721  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -2.250  -1.516   4.121  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.728  -0.723   2.649  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.426  -1.314   1.752  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -0.088  -1.611   1.873  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.686  -1.565   0.705  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.900  -1.200  -1.738  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.380  -0.864  -2.544  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        4.387  -0.476  -1.095  0.00  0.00    +0.170 A 
ATOM     15  N   LIG    1        3.069  -0.642  -0.879  0.00  0.00    -0.210 NA
ATOM     16  C   LIG    1        2.290  -0.987  -1.925  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1        2.838  -1.177  -3.191  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        1.899  -1.604  -4.567  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        4.197  -0.986  -3.309  0.00  0.00    +0.136 A 
ATOM     20  N   LIG    1        4.995  -0.635  -2.282  0.00  0.00    -0.234 NA
BRANCH  14  24
ATOM     21  C   LIG    1        6.240   0.912   3.666  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1        6.087   0.545   2.232  0.00  0.00    +0.076 A 
ATOM     23  S   LIG    1        4.540   0.190   1.597  0.00  0.00    -0.069 S 
ATOM     24  C   LIG    1        5.230  -0.095   0.040  0.00  0.00    +0.079 A 
ATOM     25  C   LIG    1        6.606   0.103   0.123  0.00  0.00    +0.056 A 
ATOM     26  C   LIG    1        7.607  -0.032  -0.971  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1        7.080   0.467   1.377  0.00  0.00    -0.249 NA
ENDBRANCH  14  24
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1       -4.305  -0.299  -0.264  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.398   1.230  -0.297  0.00  0.00    +0.056 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.252   1.778  -1.453  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1       -6.671   1.209  -1.462  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -5.311   3.308  -1.381  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -4.634   1.411  -2.691  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -3.832   1.952  -2.798  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7