REMARK  Name = BDB065169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.333   0.675  -0.088  0.00  0.00    +0.222 C 
ATOM      2  N   LIG    1       -0.394   1.545   0.444  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.474   1.781   1.427  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.121   0.045  -1.120  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -6.066  -0.462   0.011  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1       -4.898   0.229   0.323  0.00  0.00    +0.073 A 
ATOM      7  N   LIG    1       -4.826   1.567   0.823  0.00  0.00    -0.340 N 
ATOM      8  H   LIG    1       -5.507   2.140   0.328  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -3.409   1.897   0.612  0.00  0.00    +0.119 C 
ATOM     10  C   LIG    1       -2.604   0.585   0.731  0.00  0.00    +0.124 C 
ATOM     11  C   LIG    1       -3.645  -0.392   0.276  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1       -3.521  -1.718  -0.097  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -4.680  -2.418  -0.436  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -5.943  -1.798  -0.383  0.00  0.00    +0.047 A 
BRANCH   5  16
ATOM     15  C   LIG    1       -8.437  -0.477  -0.094  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -7.231   0.249   0.098  0.00  0.00    -0.493 OA
ENDBRANCH   5  16
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  C   LIG    1        0.918   1.669  -0.172  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1        1.837   0.445   0.035  0.00  0.00    +0.127 C 
ATOM     19  N   LIG    1        3.188   1.009   0.144  0.00  0.00    -0.328 N 
ATOM     20  C   LIG    1        3.156   2.463   0.036  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1        1.724   2.820   0.417  0.00  0.00    +0.042 C 
BRANCH  19  22
ATOM     22  C   LIG    1        4.328   0.253  -0.029  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        4.299  -1.149   0.018  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        5.455  -1.927  -0.145  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        6.694  -1.320  -0.344  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        7.927  -2.146  -0.553  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        6.749   0.072  -0.399  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.587   0.839  -0.234  0.00  0.00    +0.023 A 
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4