REMARK  Name = BDB063958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.139   2.268  -1.719  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.048   1.227  -1.101  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.167   0.579  -0.541  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.382   1.130  -0.660  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.809  -0.593   0.090  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.483  -0.668  -0.058  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        1.028   0.360  -0.743  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.993   0.512  -0.975  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.646   0.591  -0.134  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -4.620   1.501   0.311  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.848   1.006   0.786  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.133  -0.361   0.815  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -7.383  -0.698   1.308  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -8.028   0.395   1.645  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -5.157  -1.262   0.350  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -7.205   1.875   1.399  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -3.930  -0.778  -0.123  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        1.188  -1.711   0.445  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1        0.601  -2.319   1.010  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.619  -1.862   0.688  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1        3.441  -1.944  -0.617  0.00  0.00    +0.058 C 
ATOM     22  C   LIG    1        4.166  -0.635  -0.636  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1        4.029   0.047   0.577  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        4.625   1.282   0.771  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.360   1.837  -0.278  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.498   1.151  -1.495  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.902  -0.097  -1.679  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.207  -0.730   1.558  0.00  0.00    +0.058 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3