REMARK  Name = BDB055776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.728  -1.038   0.958  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.407  -1.502   1.218  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.182  -2.781   1.733  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -1.276  -3.609   2.003  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.583  -3.169   1.764  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.801  -1.890   1.245  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.800   2.532  -1.765  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -4.146   1.180  -1.328  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -4.273   1.100   0.141  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.948   1.123   0.942  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.892   0.244   0.395  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -1.779   0.260  -1.084  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -3.153   0.184  -1.784  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  N   LIG    1        0.625  -0.576   0.957  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        0.270   0.326   0.649  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        1.987  -0.758   1.041  0.00  0.00    +0.249 C 
ATOM     17  O   LIG    1        2.579  -1.788   1.328  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        2.763   0.467   0.719  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1        3.688   0.492  -0.356  0.00  0.00    -0.006 A 
ATOM     20  C   LIG    1        4.373   1.706  -0.609  0.00  0.00    -0.017 A 
ATOM     21  C   LIG    1        5.291   1.783  -1.670  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        5.540   0.680  -2.486  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.875  -0.516  -2.252  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.133   2.830   0.201  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        3.226   2.778   1.258  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.960  -0.610  -1.202  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        2.539   1.599   1.519  0.00  0.00    +0.014 A 
ENDBRANCH  16  18
ENDBRANCH   2  14
BRANCH   4  28
ATOM     28  N   LIG    1       -1.058  -4.956   2.549  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        0.106  -5.309   2.782  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1       -2.057  -5.663   2.746  0.00  0.00    -0.126 OA
ENDBRANCH   4  28
TORSDOF 4