REMARK  Name = BDB039395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.120  -0.095   0.112  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.240   0.221  -0.690  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.513   0.151  -0.148  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.836   0.408  -0.785  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.763   0.259   0.330  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.127  -0.211   1.470  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.622  -0.567   2.521  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.690  -0.226   1.178  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.634  -0.544   2.006  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.346  -0.473   1.464  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -2.255   3.017  -3.347  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1       -3.090   1.972  -2.804  0.00  0.00    -0.335 N 
ATOM     13  C   LIG    1       -2.672   1.052  -1.876  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1       -3.746   0.215  -1.599  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -3.512  -0.798  -0.660  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1       -2.241  -0.930  -0.099  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -1.246  -0.021  -0.456  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1       -4.832   0.651  -2.409  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -1.436   0.989  -1.344  0.00  0.00    -0.229 NA
ATOM     20  C   LIG    1       -4.400   1.741  -3.136  0.00  0.00    +0.088 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.561  -1.756  -0.293  0.00  0.00    +0.247 C 
ATOM     22  N   LIG    1       -5.589  -1.313   0.513  0.00  0.00    -0.298 N 
ATOM     23  C   LIG    1       -6.631  -2.223   0.956  0.00  0.00    +0.108 C 
ATOM     24  C   LIG    1       -7.273  -1.518   2.143  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1       -7.088  -0.044   1.807  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -5.710  -0.014   1.160  0.00  0.00    +0.108 C 
ATOM     27  O   LIG    1       -4.450  -2.913  -0.689  0.00  0.00    -0.270 OA
ENDBRANCH  15  21
ENDBRANCH   1  17
BRANCH   5  28
ATOM     28  C   LIG    1        6.205   0.219   0.116  0.00  0.00    +0.163 C 
ATOM     29  C   LIG    1        6.685  -1.212  -0.175  0.00  0.00    +0.240 C 
ATOM     30  O   LIG    1        5.998  -2.056  -0.749  0.00  0.00    -0.273 OA
ATOM     31  N   LIG    1        7.998  -1.482   0.136  0.00  0.00    -0.255 N 
ATOM     32  H   LIG    1        8.322  -2.413  -0.089  0.00  0.00    +0.158 HD
ATOM     33  C   LIG    1        8.949  -0.613   0.609  0.00  0.00    +0.219 C 
ATOM     34  O   LIG    1       10.124  -0.954   0.709  0.00  0.00    -0.275 OA
ATOM     35  C   LIG    1        8.492   0.797   0.906  0.00  0.00    +0.098 C 
ATOM     36  C   LIG    1        7.013   0.835   1.258  0.00  0.00    +0.041 C 
ENDBRANCH   5  28
TORSDOF 3