REMARK  Name = BDB002231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.998   0.051   1.190  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1        2.046  -0.336   2.125  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.825   0.703   0.851  0.00  0.00    +0.217 C 
ATOM      4  O   LIG    1        0.556   1.217  -0.230  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        6.723  -0.935  -1.897  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1        5.468  -0.691  -1.114  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1        4.412   0.036  -1.672  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        3.251   0.293  -0.933  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        3.130  -0.165   0.379  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        4.194  -0.879   0.943  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        5.355  -1.137   0.206  0.00  0.00    +0.005 A 
ENDBRANCH   1   9
BRANCH   3  12
ATOM     12  C   LIG    1       -0.150   0.737   2.020  0.00  0.00    +0.097 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.526   1.300   1.647  0.00  0.00    +0.024 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.339   0.367   0.745  0.00  0.00    +0.102 C 
ATOM     15  C   LIG    1       -3.002  -0.764   1.493  0.00  0.00    +0.311 C 
ATOM     16  O   LIG    1       -2.495  -1.425   2.386  0.00  0.00    -0.251 OA
ATOM     17  O   LIG    1       -4.264  -0.975   1.013  0.00  0.00    -0.458 OA
ATOM     18  C   LIG    1       -4.530  -0.075  -0.072  0.00  0.00    +0.109 C 
ATOM     19  C   LIG    1       -4.296  -0.811  -1.394  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1       -5.979   0.394   0.023  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1       -3.551   1.067   0.150  0.00  0.00    +0.062 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
TORSDOF 4