REMARK  Name = BDB031277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.714   0.545   1.145  0.00  0.00    +0.222 C 
ATOM      2  N   LIG    1        0.588   0.473   1.554  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1        0.623   0.473   2.569  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.557   0.738   2.027  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.829   0.407   0.895  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.934   0.093   1.708  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        4.171   0.023   1.108  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        4.350   0.264  -0.248  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        5.701   0.118  -0.537  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        6.154   0.230  -1.430  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        6.380  -0.218   0.643  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        7.574  -0.421   0.764  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        3.303   0.594  -1.070  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1        5.413  -0.273   1.658  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        5.624  -0.494   2.618  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        2.029   0.670  -0.480  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.091   0.370  -0.313  0.00  0.00    +0.131 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -5.237  -0.754  -0.899  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -4.861   0.590  -0.882  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -3.527   0.957  -0.677  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -2.535  -0.022  -0.536  0.00  0.00    -0.039 A 
ATOM     22  C   LIG    1       -2.906  -1.370  -0.605  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -4.242  -1.729  -0.809  0.00  0.00    +0.023 A 
BRANCH  18  24
ATOM     24  N   LIG    1       -6.552  -1.115  -1.220  0.00  0.00    -0.358 N 
ATOM     25  H   LIG    1       -6.806  -2.044  -0.898  0.00  0.00    +0.142 HD
ATOM     26  H   LIG    1       -7.239  -0.417  -0.950  0.00  0.00    +0.142 HD
ENDBRANCH  18  24
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 4