REMARK  Name = BDB029623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.994   1.058  -0.878  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.221   1.608  -1.518  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.545   1.399  -0.745  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -1.778  -0.026  -0.459  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -0.588  -0.895  -0.456  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.662  -0.100  -0.013  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.054  -0.542  -0.325  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -3.356  -1.904  -0.470  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -4.583  -2.471  -0.344  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -5.603  -1.639  -0.045  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -5.439  -0.273   0.130  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.156   0.265  -0.013  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -6.956  -2.261   0.096  0.00  0.00    +0.263 C 
ATOM     14  N   LIG    1       -7.985  -1.580  -0.542  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -7.746  -0.849  -1.200  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -7.116  -3.300   0.728  0.00  0.00    -0.269 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -9.325  -2.076  -0.547  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1      -10.458  -1.217  -1.035  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1      -10.337  -1.539   0.425  0.00  0.00    +0.024 C 
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        1.731   2.093  -0.137  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        7.803  -0.025   0.911  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        7.500  -0.171  -0.551  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        8.321  -0.628  -1.341  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        6.259   0.231  -0.975  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1        6.071   0.127  -1.962  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        5.285   0.745  -0.112  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        5.556   0.870   1.248  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1        4.675   1.354   2.149  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1        3.468   1.727   1.663  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        3.095   1.638   0.321  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        4.040   1.138  -0.584  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        6.864   0.458   1.745  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1       10.245   0.545   1.070  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        9.159  -0.474   1.382  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 6