REMARK  Name = BDB053810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.619  -4.389  -2.052  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        1.885  -3.515  -1.610  0.00  0.00    +0.197 A 
ATOM      3  C   LIG    1        1.569  -2.244  -2.304  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        0.722  -1.332  -1.656  0.00  0.00    +0.151 A 
ATOM      5  C   LIG    1        0.389  -0.095  -2.246  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.917   0.185  -3.514  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1        1.748  -0.714  -4.176  0.00  0.00    +0.092 A 
ATOM      8  O   LIG    1        0.171  -1.589  -0.421  0.00  0.00    -0.454 OA
ATOM      9  C   LIG    1        0.457  -2.780   0.214  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        2.077  -1.925  -3.570  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1        1.263  -3.721  -0.291  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -0.190  -2.928   1.533  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -0.276  -1.825   2.399  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.901  -1.935   3.645  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -1.449  -3.154   4.027  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -1.383  -4.257   3.186  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -0.758  -4.145   1.941  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -2.069  -3.309   5.231  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -2.048  -2.462   5.705  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   6  20
ATOM     20  O   LIG    1        0.656   1.363  -4.159  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        0.266   1.972  -3.492  0.00  0.00    +0.292 HD
ENDBRANCH   6  20
BRANCH  10  22
ATOM     22  O   LIG    1        2.900  -2.787  -4.237  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        3.143  -2.419  -5.101  0.00  0.00    +0.292 HD
ENDBRANCH  10  22
BRANCH   5  24
ATOM     24  C   LIG    1       -0.583   0.851  -1.562  0.00  0.00    +0.127 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -0.221   2.280  -1.719  0.00  0.00    -0.298 NA
ATOM     26  C   LIG    1        0.978   2.652  -0.942  0.00  0.00    +0.085 C 
ATOM     27  C   LIG    1        0.769   2.690   0.574  0.00  0.00    +0.021 C 
ATOM     28  C   LIG    1       -0.415   3.584   0.957  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -1.659   3.205   0.140  0.00  0.00    +0.021 C 
ATOM     30  C   LIG    1       -1.350   3.158  -1.359  0.00  0.00    +0.085 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -0.684   3.504   2.462  0.00  0.00    +0.159 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -1.734   4.386   2.832  0.00  0.00    -0.395 OA
ATOM     33  H   LIG    1       -1.441   5.293   2.637  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 8