REMARK  Name = BDB003231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.952  -1.041  -0.344  0.00  0.00    +0.262 C 
ATOM      2  C   LIG    1        2.828  -0.622   0.864  0.00  0.00    +0.222 C 
ATOM      3  O   LIG    1        2.687  -0.881   2.046  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        3.931   0.199   0.363  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        3.784   0.432  -0.997  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        4.689   1.204  -1.704  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        5.773   1.737  -1.001  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        5.924   1.499   0.379  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.994   0.724   1.077  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.565  -0.206  -1.489  0.00  0.00    +0.222 C 
ATOM     11  O   LIG    1        2.111  -0.021  -2.607  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -0.308  -1.389   0.564  0.00  0.00    +0.247 C 
ATOM     13  N   LIG    1        0.553  -0.689  -0.249  0.00  0.00    -0.271 N 
ATOM     14  H   LIG    1        0.157  -0.267  -1.081  0.00  0.00    +0.153 HD
ATOM     15  O   LIG    1        0.066  -2.333   1.252  0.00  0.00    -0.270 OA
BRANCH  12  21
ATOM     16  C   LIG    1       -5.957  -0.048   0.395  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -4.484  -0.357   0.425  0.00  0.00    -0.047 A 
ATOM     18  C   LIG    1       -3.523   0.605   0.050  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1       -3.930   1.986  -0.390  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -2.158   0.272   0.098  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -1.745  -1.004   0.505  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -2.701  -1.946   0.891  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -4.059  -1.625   0.847  0.00  0.00    +0.004 A 
ENDBRANCH  12  21
ENDBRANCH   1  13
BRANCH   1  24
ATOM     24  O   LIG    1        2.046  -2.413  -0.632  0.00  0.00    -0.359 OA
ATOM     25  H   LIG    1        1.565  -2.840   0.108  0.00  0.00    +0.213 HD
ENDBRANCH   1  24
TORSDOF 3