REMARK  Name = BDB063125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.514   1.333   2.363  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1       -1.199   1.568   3.291  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.873   1.083   2.322  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -3.488   0.735   1.186  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1       -4.821   0.506   1.216  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -5.564   0.590   2.381  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1       -7.032   0.330   2.466  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -4.843   0.963   3.494  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1       -3.519   1.209   3.490  0.00  0.00    -0.222 NA
BRANCH   5  10
ATOM     10  C   LIG    1       -5.388   0.154  -0.094  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -4.968  -1.017  -0.751  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.495  -1.368  -2.011  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1       -6.437  -0.524  -2.602  0.00  0.00    +0.039 A 
ATOM     14  S   LIG    1       -6.907  -1.185  -4.123  0.00  0.00    -0.075 S 
ATOM     15  C   LIG    1       -5.842  -2.501  -3.869  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1       -6.868   0.657  -1.980  0.00  0.00    +0.018 A 
ATOM     17  N   LIG    1       -5.164  -2.497  -2.744  0.00  0.00    -0.247 NA
ATOM     18  C   LIG    1       -6.328   0.979  -0.728  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        1.683   1.328  -0.270  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        1.786   1.627   1.076  0.00  0.00    +0.126 A 
ATOM     21  N   LIG    1        0.732   1.615   1.929  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1       -0.495   1.325   1.431  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -0.673   1.049   0.076  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        0.425   1.056  -0.788  0.00  0.00    +0.018 A 
BRANCH  19  29
ATOM     25  N   LIG    1        6.404  -0.667  -0.036  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1        6.162  -0.485  -1.475  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1        5.099   0.601  -1.740  0.00  0.00    +0.123 C 
ATOM     28  N   LIG    1        3.916   0.493  -0.886  0.00  0.00    -0.295 N 
ATOM     29  C   LIG    1        2.864   1.365  -1.141  0.00  0.00    +0.248 C 
ATOM     30  O   LIG    1        2.866   2.181  -2.059  0.00  0.00    -0.270 OA
ATOM     31  C   LIG    1        3.839  -0.719  -0.070  0.00  0.00    +0.123 C 
ATOM     32  C   LIG    1        5.156  -1.009   0.683  0.00  0.00    +0.103 C 
BRANCH  25  34
ATOM     33  C   LIG    1        8.849  -1.154  -0.175  0.00  0.00    +0.020 C 
ATOM     34  C   LIG    1        7.470  -1.626   0.271  0.00  0.00    +0.081 C 
ENDBRANCH  25  34
ENDBRANCH  19  29
ENDBRANCH   1  22
TORSDOF 5