REMARK  Name = BDB029653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.023  -2.402   0.695  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.426  -1.420   1.721  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.902  -0.986   1.560  0.00  0.00    +0.122 C 
ATOM      4  N   LIG    1        2.139  -0.451   0.200  0.00  0.00    -0.311 N 
ATOM      5  C   LIG    1        1.738  -1.414  -0.851  0.00  0.00    +0.122 C 
ATOM      6  C   LIG    1        0.266  -1.853  -0.650  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.451   0.036   0.028  0.00  0.00    +0.144 A 
ATOM      8  N   LIG    1        4.398  -0.139   0.982  0.00  0.00    -0.133 NA
ATOM      9  N   LIG    1        5.678   0.348   0.827  0.00  0.00    -0.143 NA
ATOM     10  C   LIG    1        5.992   1.033  -0.294  0.00  0.00    +0.148 A 
ATOM     11  C   LIG    1        5.067   1.261  -1.293  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        3.778   0.757  -1.120  0.00  0.00    +0.048 A 
BRANCH  10  13
ATOM     13  C   LIG    1        7.391   1.535  -0.408  0.00  0.00    +0.264 C 
ATOM     14  N   LIG    1        8.200   1.273   0.679  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.814   0.694   1.419  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        9.602   1.596   0.685  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1        7.768   2.126  -1.414  0.00  0.00    -0.268 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.321  -2.954   0.890  0.00  0.00    +0.121 C 
BRANCH  18  28
ATOM     19  C   LIG    1       -6.335   0.995  -0.433  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -5.905   0.338  -1.711  0.00  0.00    +0.252 A 
ATOM     21  O   LIG    1       -6.466   0.563  -2.779  0.00  0.00    -0.268 OA
ATOM     22  N   LIG    1       -4.849  -0.534  -1.640  0.00  0.00    -0.321 N 
ATOM     23  H   LIG    1       -4.573  -0.965  -2.512  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -4.183  -0.836  -0.447  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1       -4.589  -0.239   0.744  0.00  0.00    +0.088 A 
ATOM     26  N   LIG    1       -4.007  -0.478   1.938  0.00  0.00    -0.253 NA
ATOM     27  C   LIG    1       -2.971  -1.349   1.934  0.00  0.00    +0.116 A 
ATOM     28  C   LIG    1       -2.482  -1.995   0.797  0.00  0.00    -0.013 A 
ATOM     29  C   LIG    1       -3.118  -1.728  -0.422  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1       -5.706   0.698   0.718  0.00  0.00    +0.038 A 
BRANCH  19  32
ATOM     31  C   LIG    1       -7.100   3.307  -1.055  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -7.499   1.945  -0.504  0.00  0.00    +0.037 C 
ENDBRANCH  19  32
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 5