REMARK  Name = BDB021429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.393  -2.271  -0.818  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.855  -1.187  -1.185  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.142  -0.404  -2.087  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.554   0.924  -2.512  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.879   1.786  -1.309  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.255   1.700  -0.986  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.765   0.495  -0.600  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        4.071   0.653  -0.087  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        4.828  -0.424   0.392  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        4.258  -1.691   0.346  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.968  -1.863  -0.168  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        2.198  -0.782  -0.657  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        6.188  -0.214   0.916  0.00  0.00    -0.040 C 
ATOM     14  C   LIG    1        7.316  -1.066   0.387  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1        8.536  -0.994   1.307  0.00  0.00    +0.165 C 
ATOM     16  O   LIG    1        8.835   0.366   1.624  0.00  0.00    -0.375 OA
ATOM     17  C   LIG    1        7.806   0.962   2.419  0.00  0.00    +0.187 C 
ATOM     18  C   LIG    1        6.433   0.703   1.871  0.00  0.00    +0.005 C 
ENDBRANCH   9  13
BRANCH   3  19
ATOM     19  C   LIG    1       -1.079  -0.968  -2.671  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.298  -0.952  -1.721  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.267  -1.881  -2.231  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -2.910  -2.771  -2.053  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.923   0.463  -1.640  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.921   0.741  -0.592  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.155  -0.045  -0.748  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.188   0.271   0.318  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.800   0.825   1.552  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.765   1.071   2.538  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.102   0.747   2.311  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.486   0.180   1.098  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.361   1.213   1.785  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.534  -0.061   0.107  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.399   0.577   0.769  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6