REMARK  Name = BDB059940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.704  -2.425   2.090  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.215  -2.843   0.707  0.00  0.00    +0.076 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -4.884  -0.806  -0.371  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.649  -0.209  -0.609  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.466  -0.872  -0.263  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.498  -2.143   0.323  0.00  0.00    -0.044 A 
ATOM      7  C   LIG    1       -3.739  -2.739   0.565  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.917  -2.073   0.218  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -6.117  -0.286  -0.632  0.00  0.00    -0.477 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -7.828   1.223  -1.194  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -6.305   0.986  -1.262  0.00  0.00    +0.180 C 
ATOM     12  C   LIG    1       -5.918   0.934  -2.747  0.00  0.00    +0.065 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.650   2.182  -0.525  0.00  0.00    +0.254 C 
ATOM     14  O   LIG    1       -5.039   3.088  -1.084  0.00  0.00    -0.272 OA
ATOM     15  N   LIG    1       -5.818   2.197   0.835  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -5.284   2.895   1.336  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -5.979   1.315   1.308  0.00  0.00    +0.145 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1       -0.226  -1.077   2.107  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.048  -0.818   1.689  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        1.980  -1.747   1.235  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        3.257  -1.332   0.828  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        3.618   0.014   0.873  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        2.678   0.945   1.326  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        1.406   0.530   1.731  0.00  0.00    +0.047 A 
BRANCH  22  25
ATOM     25  N   LIG    1        4.877   0.508   0.474  0.00  0.00    -0.281 N 
ATOM     26  H   LIG    1        5.002   1.508   0.562  0.00  0.00    +0.155 HD
ATOM     27  C   LIG    1        5.977  -0.227   0.068  0.00  0.00    +0.248 C 
ATOM     28  O   LIG    1        6.080  -1.447   0.048  0.00  0.00    -0.270 OA
BRANCH  27  29
ATOM     29  C   LIG    1        7.155   0.589  -0.341  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        8.436   0.112  -0.038  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        9.563   0.850  -0.405  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        9.413   2.059  -1.084  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.140   2.529  -1.406  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.009   1.795  -1.040  0.00  0.00    +0.013 A 
ENDBRANCH  27  29
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9