REMARK  Name = BDB029640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.168  -1.697   0.378  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.066  -2.656   0.644  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        0.877  -2.929  -0.556  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        1.421  -1.660  -1.098  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        0.363  -0.677  -1.408  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.588  -0.461  -0.205  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.655  -1.249  -0.593  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        3.758  -2.116  -0.557  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        4.996  -1.820  -0.087  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        5.180  -0.563   0.370  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        4.177   0.397   0.366  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        2.915   0.044  -0.124  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1        6.546  -0.232   0.890  0.00  0.00    +0.263 C 
ATOM     14  N   LIG    1        7.040   1.012   0.521  0.00  0.00    -0.308 N 
ATOM     15  H   LIG    1        6.590   1.480  -0.256  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        7.171  -1.025   1.585  0.00  0.00    -0.269 OA
BRANCH  14  17
ATOM     17  C   LIG    1        8.410   1.397   0.832  0.00  0.00    +0.067 C 
ATOM     18  C   LIG    1        9.384   0.789  -0.174  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1        8.531   2.917   0.851  0.00  0.00    +0.027 C 
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.202  -2.301  -0.478  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -7.653   1.210   0.176  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -7.114   0.922   1.547  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1       -7.677   1.319   2.562  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1       -5.955   0.192   1.620  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -5.602   0.009   2.550  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -5.282  -0.291   0.493  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -5.785  -0.036  -0.780  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1       -5.200  -0.466  -1.919  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1       -4.061  -1.181  -1.773  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -3.469  -1.482  -0.545  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1       -4.111  -1.028   0.614  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1       -7.015   0.737  -0.909  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1       -8.704   3.490   0.299  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -8.931   1.999   0.091  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 6