REMARK  Name = BDB005654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.611   0.063   0.959  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -0.794  -1.256   0.504  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.348  -2.073   0.437  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1        0.246  -3.383  -0.043  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        1.066  -3.971  -0.106  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -0.920  -3.950  -0.467  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -2.143  -3.111  -0.380  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.438  -3.752  -0.810  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -4.582  -2.744  -0.972  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -4.568  -1.717   0.155  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -3.256  -1.093   0.204  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.159  -0.338   0.884  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -0.952  -5.104  -0.885  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        1.607  -1.611   0.836  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        1.766  -0.307   1.320  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -2.094  -1.847   0.086  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.644   0.524   1.385  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1       -1.670   0.938   1.053  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -1.634   1.867  -0.043  0.00  0.00    +0.257 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.960   2.619  -0.094  0.00  0.00    +0.200 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -4.144   4.296  -1.248  0.00  0.00    +0.194 C 
ATOM     22  O   LIG    1       -2.913   3.595  -1.134  0.00  0.00    -0.380 OA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH  15  23
ATOM     23  C   LIG    1        3.125   0.186   1.768  0.00  0.00    +0.120 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.133   0.147   0.698  0.00  0.00    -0.294 NA
ATOM     25  C   LIG    1        5.490   0.428   1.214  0.00  0.00    +0.113 C 
ATOM     26  C   LIG    1        5.946   1.877   0.985  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1        5.968   2.250  -0.399  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        5.038   1.505  -1.198  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1        3.794   1.077  -0.406  0.00  0.00    +0.113 C 
ENDBRANCH  23  24
ENDBRANCH  15  23
TORSDOF 6