REMARK  Name = BDB057783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.888   0.513  -0.182  0.00  0.00    -0.302 NA
ATOM      2  C   LIG    1        0.097   1.339  -1.097  0.00  0.00    +0.085 C 
ATOM      3  C   LIG    1       -1.328   1.518  -0.553  0.00  0.00    +0.022 C 
ATOM      4  C   LIG    1       -1.853   0.274   0.210  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -1.148  -0.978  -0.327  0.00  0.00    +0.022 C 
ATOM      6  C   LIG    1        0.378  -0.870  -0.156  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.328   0.521  -0.490  0.00  0.00    +0.087 C 
BRANCH   7   8
ATOM      8  C   LIG    1        3.007   1.831  -0.069  0.00  0.00    +0.056 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.502   1.822  -0.387  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  O   LIG    1        5.135   0.781   0.357  0.00  0.00    -0.492 OA
BRANCH  10  14
ATOM     11  C   LIG    1        9.230   0.066   0.037  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        8.677   1.114  -0.706  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        7.307   1.391  -0.629  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.481   0.620   0.191  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        7.038  -0.426   0.933  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        8.405  -0.705   0.859  0.00  0.00    +0.022 A 
BRANCH  11  18
ATOM     17  N   LIG    1       11.770  -0.440  -0.113  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1       10.633  -0.215  -0.044  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH  10  14
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -3.418   0.210   0.302  0.00  0.00    +0.097 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.088   0.099  -1.082  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -4.104  -1.110  -1.802  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.713  -1.202  -3.058  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.324  -0.087  -3.622  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.326   1.119  -2.931  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.717   1.209  -1.676  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -3.914  -0.933   1.247  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1       -3.353  -0.908   2.676  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -4.260  -1.859   3.450  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -5.604  -1.841   2.728  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -5.426  -0.918   1.526  0.00  0.00    +0.007 C 
ENDBRANCH  19  26
BRANCH  19  31
ATOM     31  O   LIG    1       -3.841   1.456   0.896  0.00  0.00    -0.383 OA
ATOM     32  H   LIG    1       -3.266   1.638   1.656  0.00  0.00    +0.211 HD
ENDBRANCH  19  31
ENDBRANCH   4  19
TORSDOF 10