REMARK  Name = BDB004059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.160   0.285  -0.938  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.466   1.029  -1.548  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        4.034  -0.074  -0.502  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        3.195  -1.009   0.110  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        1.803  -0.903  -0.026  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.220   0.122  -0.779  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        2.079   1.044  -1.398  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        3.469   0.947  -1.269  0.00  0.00    +0.015 A 
BRANCH   3  10
ATOM      9  O   LIG    1        6.226   0.353  -1.256  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        5.517  -0.140  -0.387  0.00  0.00    +0.244 C 
ATOM     11  N   LIG    1        6.020  -0.733   0.752  0.00  0.00    -0.309 N 
ATOM     12  H   LIG    1        5.399  -0.947   1.520  0.00  0.00    +0.149 HD
BRANCH  11  13
ATOM     13  C   LIG    1        7.448  -0.818   0.993  0.00  0.00    +0.132 C 
BRANCH  13  14
ATOM     14  C   LIG    1        8.082   0.527   1.345  0.00  0.00    +0.174 C 
BRANCH  14  15
ATOM     15  O   LIG    1        9.408   0.325   1.825  0.00  0.00    -0.393 OA
ATOM     16  H   LIG    1        9.809   1.207   1.913  0.00  0.00    +0.209 HD
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   3  10
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  C   LIG    1       -1.279  -0.395  -0.467  0.00  0.00    +0.221 A 
ATOM     18  N   LIG    1       -2.455   0.085  -0.906  0.00  0.00    -0.199 NA
ATOM     19  C   LIG    1       -3.590  -0.503  -0.484  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1       -3.563  -1.599   0.346  0.00  0.00    +0.063 A 
ATOM     21  C   LIG    1       -2.323  -2.028   0.744  0.00  0.00    +0.118 A 
ATOM     22  N   LIG    1       -1.179  -1.441   0.362  0.00  0.00    -0.223 NA
BRANCH  19  23
ATOM     23  N   LIG    1       -4.768   0.043  -0.989  0.00  0.00    -0.298 N 
ATOM     24  H   LIG    1       -4.550   0.751  -1.685  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -6.099   0.118  -0.531  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1       -7.128   0.476  -1.429  0.00  0.00    +0.062 A 
ATOM     27 CL   LIG    1       -6.763   0.894  -3.071  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -8.467   0.514  -1.029  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -8.809   0.191   0.281  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -7.812  -0.162   1.186  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -6.472  -0.201   0.782  0.00  0.00    +0.025 A 
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   1  17
TORSDOF 8