REMARK  Name = BDB046917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.089  -0.355  -0.258  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1        1.229   0.035   0.007  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1        2.172  -0.990   0.127  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        3.565  -0.608   0.413  0.00  0.00    +0.259 A 
ATOM      5  N   LIG    1        3.800   0.737   0.526  0.00  0.00    -0.313 N 
ATOM      6  H   LIG    1        4.754   1.010   0.719  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        2.819   1.673   0.385  0.00  0.00    +0.199 A 
ATOM      8  O   LIG    1        4.457  -1.438   0.540  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        1.826  -2.330  -0.020  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        0.508  -2.613  -0.298  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1        1.586   1.396   0.138  0.00  0.00    -0.235 NA
ATOM     12  N   LIG    1       -0.443  -1.665  -0.426  0.00  0.00    -0.256 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -1.162   0.718  -0.447  0.00  0.00    +0.141 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -2.851  -0.059   1.121  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1       -2.568   0.276  -0.275  0.00  0.00    -0.303 NA
ATOM     16  C   LIG    1       -3.482   1.319  -0.737  0.00  0.00    +0.105 C 
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 2