REMARK  Name = BDB057051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.733   0.399  -1.516  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        2.752   0.580  -0.306  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        1.640   0.999   0.405  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        1.596   0.648   1.350  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        3.832   0.431   0.538  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        3.724   0.855   1.446  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        5.114  -0.059   0.215  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        6.102   0.031   1.204  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        7.393  -0.443   0.954  0.00  0.00    +0.015 A 
ATOM     10  I   LIG    1        8.850  -0.297   2.432  0.00  0.00    -0.044 I 
ATOM     11  C   LIG    1        7.711  -1.014  -0.275  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        6.729  -1.111  -1.259  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        5.436  -0.637  -1.014  0.00  0.00    +0.023 A 
ENDBRANCH   5   7
BRANCH   3  14
ATOM     14  C   LIG    1        0.353   1.162  -0.270  0.00  0.00    +0.077 C 
ATOM     15  C   LIG    1       -0.303  -0.202  -0.526  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -1.822  -0.071  -0.584  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1       -2.384   0.382   0.701  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -1.516   1.321   1.425  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -0.564   2.102   0.524  0.00  0.00    +0.038 C 
BRANCH  17  20
ATOM     20  C   LIG    1       -3.748   0.914   0.538  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.745  -0.110   0.036  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -5.005  -1.272   0.779  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.929  -2.213   0.324  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.605  -2.003  -0.877  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.357  -0.852  -1.623  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.432   0.091  -1.169  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   3  14
TORSDOF 4