REMARK  Name = BDB004488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.327  -2.470   2.071  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.231  -1.852   1.184  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.047  -0.533   0.816  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.900  -0.139  -0.291  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -1.654  -1.408  -0.588  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.609  -1.679  -1.557  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.150  -2.968  -1.612  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.733  -3.967  -0.712  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.767  -3.692   0.257  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.250  -2.411   0.291  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.806   1.043   0.028  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.845   2.178  -0.801  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.677   3.259  -0.502  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -3.488   3.224   0.629  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.470   2.109   1.462  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.639   1.028   1.165  0.00  0.00    +0.008 A 
ENDBRANCH   4  11
BRANCH   4  17
ATOM     17  O   LIG    1       -0.058   0.116  -1.399  0.00  0.00    -0.364 OA
ATOM     18  H   LIG    1        0.732  -0.421  -1.224  0.00  0.00    +0.213 HD
ENDBRANCH   4  17
BRANCH   3  19
ATOM     19  C   LIG    1        0.862   0.369   1.498  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.199   0.470   0.801  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.514   1.595   0.023  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.742   1.681  -0.637  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        4.663   0.632  -0.520  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1        4.361  -0.500   0.247  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.130  -0.576   0.903  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  N   LIG    1        5.955   0.718  -1.212  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1        6.191   1.744  -1.867  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1        6.734  -0.240  -1.104  0.00  0.00    -0.126 OA
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5