REMARK  Name = BDB016272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.165   2.734   0.653  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.580   1.355   0.147  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.449   0.509   0.318  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.399  -0.594  -0.491  0.00  0.00    +0.150 A 
ATOM      5  C   LIG    1       -2.507  -1.346  -0.917  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.287  -2.464  -1.745  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.003  -2.853  -2.123  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        0.092  -2.126  -1.677  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -3.861  -1.125  -0.593  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.537  -1.761  -1.002  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.480  -0.222   0.209  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.708  -0.287   0.318  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.094  -1.000  -0.864  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -3.704   0.794   0.986  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        1.093  -0.272  -0.436  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        2.173  -0.701   0.396  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.087   0.355   0.469  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        4.273   0.265   1.216  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        4.529  -0.927   1.900  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.635  -1.991   1.846  0.00  0.00    +0.001 A 
ATOM     21  N   LIG    1        2.571   1.383  -0.293  0.00  0.00    -0.349 N 
ATOM     22  C   LIG    1        3.200   2.672  -0.477  0.00  0.00    +0.149 C 
ATOM     23  C   LIG    1        2.456  -1.891   1.100  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        1.380   1.011  -0.856  0.00  0.00    +0.095 A 
ENDBRANCH  13  15
TORSDOF 1