REMARK  Name = BDB002687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.800   0.291  -0.241  0.00  0.00    -0.023 A 
ATOM      2  C   LIG    1        0.999  -0.142  -1.306  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -0.392  -0.172  -1.183  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.981   0.222   0.016  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -0.202   0.688   1.073  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        1.188   0.724   0.943  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.187  -0.246   0.365  0.00  0.00    +0.136 C 
ATOM      8  C   LIG    1        3.259   0.333  -0.426  0.00  0.00    +0.034 C 
BRANCH   7   9
ATOM      9  C   LIG    1        5.639  -0.137   0.059  0.00  0.00    +0.349 C 
ATOM     10  O   LIG    1        6.516  -0.611   0.767  0.00  0.00    -0.244 OA
BRANCH   9  12
ATOM     11  C   LIG    1        7.247   0.680  -1.435  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1        5.865   0.550  -1.093  0.00  0.00    -0.464 OA
ENDBRANCH   9  12
ENDBRANCH   7   9
BRANCH   7  13
ATOM     13  C   LIG    1        3.848  -0.999   1.526  0.00  0.00    +0.106 C 
ATOM     14  N   LIG    1        3.545  -1.591   2.478  0.00  0.00    -0.191 NA
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   4  15
ATOM     15  O   LIG    1       -2.374   0.263   0.192  0.00  0.00    -0.421 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.124  -0.852  -0.166  0.00  0.00    +0.363 C 
ATOM     17  O   LIG    1       -2.689  -1.903  -0.614  0.00  0.00    -0.243 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -4.577  -0.564   0.080  0.00  0.00    +0.148 A 
ATOM     19  N   LIG    1       -5.440  -1.529  -0.338  0.00  0.00    -0.248 NA
ATOM     20  C   LIG    1       -6.757  -1.318  -0.134  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -7.269  -0.182   0.469  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -6.378   0.798   0.890  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.010   0.610   0.697  0.00  0.00    +0.035 A 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 7