REMARK  Name = BDB053335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.760   0.113   2.078  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1        1.558   0.216   1.011  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        1.649   1.333   0.092  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        0.823   2.315  -0.296  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        2.997   1.230  -0.574  0.00  0.00    +0.279 A 
ATOM      6  O   LIG    1        3.474   2.075  -1.315  0.00  0.00    -0.265 OA
ATOM      7  N   LIG    1        3.506  -0.009  -0.162  0.00  0.00    -0.219 N 
ATOM      8  N   LIG    1        2.600  -0.649   0.718  0.00  0.00    -0.290 N 
ATOM      9  H   LIG    1        3.034  -1.008   1.567  0.00  0.00    +0.187 HD
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        4.700  -0.658  -0.553  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        4.968  -1.977  -0.148  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        6.151  -2.624  -0.526  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        7.092  -1.956  -1.311  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        6.831  -0.656  -1.749  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        5.645  -0.015  -1.366  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1        8.331  -2.672  -1.693  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1        8.358  -3.859  -1.962  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        9.428  -1.886  -1.663  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        9.289  -1.005  -1.269  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   7  10
BRANCH   4  20
ATOM     20  C   LIG    1       -0.538   2.456   0.087  0.00  0.00    +0.129 A 
ATOM     21  O   LIG    1       -1.425   1.411   0.244  0.00  0.00    -0.455 OA
ATOM     22  C   LIG    1       -2.663   1.924   0.484  0.00  0.00    +0.138 A 
ATOM     23  C   LIG    1       -2.601   3.297   0.524  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -1.252   3.635   0.271  0.00  0.00    +0.050 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.751   0.963   0.559  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -3.789  -0.119   1.443  0.00  0.00    +0.137 A 
ATOM     27  C   LIG    1       -4.841  -1.050   1.433  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -5.901  -0.905   0.527  0.00  0.00    -0.045 A 
ATOM     29  C   LIG    1       -7.019  -1.912   0.534  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -5.901   0.191  -0.357  0.00  0.00    -0.047 A 
ATOM     31  C   LIG    1       -7.013   0.394  -1.352  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -4.828   1.104  -0.333  0.00  0.00    +0.017 A 
BRANCH  26  33
ATOM     33  N   LIG    1       -2.766  -0.291   2.458  0.00  0.00    +0.057 N 
ATOM     34  O   LIG    1       -2.221  -1.403   2.529  0.00  0.00    -0.126 OA
ATOM     35  O   LIG    1       -2.557   0.658   3.227  0.00  0.00    -0.126 OA
ENDBRANCH  26  33
ENDBRANCH  22  25
ENDBRANCH   4  20
TORSDOF 6