REMARK  Name = BDB025359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.680   1.854  -0.228  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1       -2.185   2.011  -0.270  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -1.505   0.683  -0.128  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1       -0.205   0.492  -0.367  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1        0.002  -0.838  -0.114  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1       -1.175  -1.454   0.334  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        1.261  -1.441  -0.330  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1        1.379  -2.656  -0.173  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.148  -0.488   0.323  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -3.589  -0.525   0.672  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1       -4.141   0.903   0.840  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.385  -0.498  -0.749  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.252  -0.104   0.434  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        4.540  -0.648   0.601  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        5.325  -0.225   1.685  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        4.827   0.676   2.626  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        3.548   1.185   2.466  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        3.068   2.060   3.360  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1        5.126  -1.474  -0.367  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        5.832  -2.091   0.028  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        4.219  -2.155  -1.278  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        2.763   0.812   1.382  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        3.217  -1.167  -1.857  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  25
ATOM     24  C   LIG    1       -6.063   2.380  -1.377  0.00  0.00    +0.215 C 
ATOM     25  S   LIG    1       -4.428   1.776  -1.744  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1       -4.532   0.389  -2.136  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1       -3.802   2.756  -2.605  0.00  0.00    -0.158 OA
ENDBRANCH   1  25
BRANCH   6  28
ATOM     28  N   LIG    1       -1.252  -2.758   0.692  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -2.146  -3.240   0.699  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -0.466  -3.379   0.470  0.00  0.00    +0.144 HD
ENDBRANCH   6  28
TORSDOF 3