REMARK  Name = BDB053218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.256   0.369  -0.399  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        1.853   0.226  -0.449  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.241  -0.798   0.297  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.232  -0.997   0.218  0.00  0.00    +0.259 A 
ATOM      5  N   LIG    1       -0.942  -0.126  -0.616  0.00  0.00    -0.314 N 
ATOM      6  C   LIG    1       -0.328   0.905  -1.296  0.00  0.00    +0.090 A 
ATOM      7  O   LIG    1       -0.766  -1.891   0.872  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1        1.998  -1.635   1.127  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.370  -1.442   1.234  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        0.992   1.111  -1.244  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        3.987  -0.435   0.491  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        3.935   1.419  -1.049  0.00  0.00    -0.357 N 
ATOM     13  H   LIG    1        3.517   1.687  -1.934  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1        4.932   1.255  -1.150  0.00  0.00    +0.142 HD
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1       -2.396  -0.279  -0.704  0.00  0.00    +0.136 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.110   0.407   0.455  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.595   0.249   0.319  0.00  0.00    +0.306 C 
ATOM     18  O   LIG    1       -5.207  -0.190  -0.639  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -5.253   0.691   1.408  0.00  0.00    -0.481 OA
ATOM     20  H   LIG    1       -6.199   0.531   1.202  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5