REMARK  Name = BDB058645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.814  -1.119   0.062  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.392   0.229  -0.001  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1        0.980   0.516   0.106  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        1.936  -0.478   0.271  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.497  -1.797   0.334  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        2.501  -2.732   0.503  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        3.807  -2.420   0.603  0.00  0.00    -0.222 NA
ATOM      8  C   LIG    1        4.143  -1.123   0.529  0.00  0.00    +0.218 A 
ATOM      9  N   LIG    1        3.232  -0.148   0.368  0.00  0.00    -0.214 NA
ATOM     10  C   LIG    1        0.132  -2.127   0.232  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   2  11
ATOM     11  N   LIG    1       -1.367   1.250  -0.128  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1       -1.750   1.786   1.193  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -2.666   2.993   1.017  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -1.971   4.123   0.257  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -0.838   3.625  -0.640  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -1.126   2.234  -1.198  0.00  0.00    +0.105 C 
ENDBRANCH   2  11
BRANCH   8  17
ATOM     17  N   LIG    1        5.473  -0.778   0.655  0.00  0.00    -0.295 N 
ATOM     18  C   LIG    1        5.918   0.531   0.169  0.00  0.00    +0.136 C 
ATOM     19  C   LIG    1        7.071   0.357  -0.833  0.00  0.00    +0.179 C 
ATOM     20  O   LIG    1        8.210  -0.335  -0.296  0.00  0.00    -0.377 OA
ATOM     21  C   LIG    1        7.870  -1.285   0.727  0.00  0.00    +0.179 C 
ATOM     22  C   LIG    1        6.454  -1.864   0.588  0.00  0.00    +0.136 C 
ENDBRANCH   8  17
BRANCH   1  25
ATOM     23  O   LIG    1       -2.376  -3.645   0.185  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1       -2.880  -2.546  -0.023  0.00  0.00    +0.253 C 
ATOM     25  N   LIG    1       -2.197  -1.352  -0.076  0.00  0.00    -0.280 N 
ATOM     26  H   LIG    1       -2.740  -0.502  -0.247  0.00  0.00    +0.155 HD
BRANCH  24  27
ATOM     27  C   LIG    1       -4.314  -2.432  -0.232  0.00  0.00    +0.101 A 
ATOM     28  C   LIG    1       -5.073  -1.306  -0.496  0.00  0.00    +0.168 A 
ATOM     29  N   LIG    1       -6.397  -1.748  -0.622  0.00  0.00    -0.221 N 
ATOM     30  C   LIG    1       -7.419  -0.847  -0.905  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1       -7.150   0.456  -1.064  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -5.717   0.827  -0.910  0.00  0.00    +0.114 A 
ATOM     33  N   LIG    1       -6.505  -3.083  -0.439  0.00  0.00    -0.173 NA
ATOM     34  N   LIG    1       -4.736   0.017  -0.641  0.00  0.00    -0.235 NA
ATOM     35  C   LIG    1       -5.254  -3.484  -0.210  0.00  0.00    +0.150 A 
ENDBRANCH  24  27
ENDBRANCH   1  25
TORSDOF 4