REMARK  Name = BDB062186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.208   1.199  -3.412  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.352   0.651  -2.338  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -0.679   0.285  -1.328  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.972   0.584  -1.502  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.073  -0.352  -0.266  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        1.195  -0.357  -0.561  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1        1.493   0.210  -1.755  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        2.398   0.241  -2.192  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.075   0.289  -0.575  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -4.141   1.198  -0.488  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -5.223   0.936   0.354  0.00  0.00    +0.159 A 
ATOM     12  C   LIG    1       -5.260  -0.236   1.107  0.00  0.00    +0.158 A 
ATOM     13  C   LIG    1       -4.219  -1.155   1.020  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -3.134  -0.894   0.176  0.00  0.00    +0.012 A 
BRANCH  11  15
ATOM     15  O   LIG    1       -6.257   1.825   0.448  0.00  0.00    -0.503 OA
ATOM     16  H   LIG    1       -6.072   2.588  -0.120  0.00  0.00    +0.292 HD
ENDBRANCH  11  15
BRANCH  12  17
ATOM     17  O   LIG    1       -6.328  -0.476   1.925  0.00  0.00    -0.503 OA
ATOM     18  H   LIG    1       -6.193  -1.322   2.379  0.00  0.00    +0.292 HD
ENDBRANCH  12  17
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1        2.143  -0.928   0.230  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1        1.759  -1.397   1.044  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.491  -0.561   0.395  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.374  -1.504   0.942  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        5.733  -1.218   1.095  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.231   0.021   0.702  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.369   0.970   0.158  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.010   0.678   0.003  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5