REMARK  Name = BDB057896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.379   0.383  -0.385  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        2.764   1.597  -0.207  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1        1.520   1.502  -0.659  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1        1.352   0.247  -1.112  0.00  0.00    -0.247 N 
ATOM      5  C   LIG    1        2.485  -0.492  -0.963  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.081  -0.178  -1.669  0.00  0.00    +0.126 C 
ATOM      7  C   LIG    1       -1.097   0.176  -0.751  0.00  0.00    +0.134 C 
ATOM      8  N   LIG    1       -2.375  -0.328  -1.274  0.00  0.00    -0.299 N 
ATOM      9  C   LIG    1       -3.472  -0.674  -0.482  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1       -4.464  -1.214  -0.973  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.491  -0.492  -2.723  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -1.603   0.493  -3.474  0.00  0.00    +0.021 C 
ATOM     13  C   LIG    1       -0.126   0.353  -3.097  0.00  0.00    +0.030 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -3.362  -0.369   1.010  0.00  0.00    +0.131 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.681  -0.380   1.748  0.00  0.00    -0.039 A 
ATOM     16  C   LIG    1       -5.179  -1.569   2.299  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -6.400  -1.577   2.977  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -7.136  -0.401   3.105  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.655   0.784   2.552  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.435   0.795   1.873  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   4   6
BRANCH   1  23
ATOM     21  C   LIG    1        6.866   0.730   0.890  0.00  0.00    +0.062 A 
ATOM     22  C   LIG    1        5.555   1.067   0.554  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1        4.751   0.089  -0.015  0.00  0.00    +0.093 A 
ATOM     24  N   LIG    1        5.190  -1.175  -0.255  0.00  0.00    -0.253 NA
ATOM     25  C   LIG    1        6.464  -1.470   0.081  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1        7.334  -0.562   0.651  0.00  0.00    +0.035 A 
BRANCH  21  28
ATOM     27  O   LIG    1        8.949   1.481   1.818  0.00  0.00    -0.245 OA
ATOM     28  C   LIG    1        7.796   1.706   1.501  0.00  0.00    +0.337 C 
BRANCH  28  29
ATOM     29  O   LIG    1        7.237   2.913   1.685  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        7.949   3.452   2.089  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH   1  23
TORSDOF 6