REMARK  Name = BDB045979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.436   1.449  -0.932  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -2.142   1.615  -0.450  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.815   1.399  -1.061  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        0.139   1.752  -0.123  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.437   2.172   1.134  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -0.599   0.977  -2.181  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.901   2.082   0.856  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -2.938   2.399   1.720  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.241   2.245   1.259  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.484   1.779  -0.045  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -2.930   0.459  -3.140  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -3.242   0.208  -4.068  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -1.924   0.505  -2.988  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -3.852   0.966  -2.279  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -5.030   1.010  -2.622  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1        1.572   1.643  -0.325  0.00  0.00    +0.109 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.187   0.415   0.346  0.00  0.00    +0.024 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.701  -0.900  -0.271  0.00  0.00    +0.036 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.380  -2.087   0.366  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1        1.826  -2.699   1.499  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        2.464  -3.785   2.099  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.663  -4.267   1.576  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.225  -3.663   0.453  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.588  -2.576  -0.149  0.00  0.00    +0.003 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5