REMARK  Name = BDB029642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.388   1.771   1.408  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.860   0.401   1.612  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -0.524   0.123   0.979  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -1.520   1.133   1.398  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -1.054   2.532   1.242  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.353   2.728   1.859  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.864   0.911   1.066  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -3.314  -0.101   0.205  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -4.608  -0.349  -0.129  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -5.536   0.458   0.449  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -5.224   1.477   1.332  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -3.879   1.693   1.638  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -6.964   0.184   0.089  0.00  0.00    +0.263 C 
ATOM     14  N   LIG    1       -7.134  -0.870  -0.785  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -6.275  -1.340  -1.061  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1       -7.888   0.847   0.545  0.00  0.00    -0.269 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -8.461  -1.307  -1.250  0.00  0.00    +0.124 C 
ATOM     18  C   LIG    1       -8.502  -2.683  -1.923  0.00  0.00    +0.184 C 
ATOM     19  O   LIG    1       -9.505  -3.161  -0.995  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -9.355  -1.964  -0.190  0.00  0.00    +0.184 C 
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1        1.786   2.034   0.016  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1        7.474  -0.963  -1.057  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        7.574  -0.218   0.242  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1        8.599  -0.226   0.916  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1        6.464   0.477   0.649  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        6.545   0.969   1.529  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        5.277   0.526  -0.089  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        5.184  -0.152  -1.302  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1        4.079  -0.155  -2.078  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1        3.022   0.553  -1.616  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1        3.008   1.257  -0.411  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1        4.178   1.245   0.361  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1        6.338  -0.907  -1.776  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1        8.858  -3.042  -0.784  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        8.692  -1.716  -1.514  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6