REMARK  Name = BDB002447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.768   1.137  -1.007  0.00  0.00    +0.324 A 
ATOM      2  C   LIG    1       -0.009   0.248  -0.266  0.00  0.00    +0.166 A 
ATOM      3  N   LIG    1       -0.847  -0.716   0.273  0.00  0.00    -0.204 NA
ATOM      4  C   LIG    1       -2.045  -0.398  -0.171  0.00  0.00    +0.232 A 
ATOM      5  O   LIG    1       -2.066   0.710  -0.974  0.00  0.00    -0.404 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.322  -1.066   0.068  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -3.362  -2.214   0.873  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -4.568  -2.875   1.121  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.751  -2.396   0.564  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.730  -1.257  -0.238  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.524  -0.596  -0.485  0.00  0.00    +0.013 A 
ENDBRANCH   4   6
BRANCH   2  12
ATOM     12  C   LIG    1        1.428   0.249  -0.099  0.00  0.00    +0.148 C 
ATOM     13  N   LIG    1        1.982  -0.680   0.607  0.00  0.00    -0.234 NA
BRANCH  13  14
ATOM     14  C   LIG    1        3.374  -0.663   0.719  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1        4.089  -0.075  -0.267  0.00  0.00    -0.236 NA
ATOM     16  C   LIG    1        5.435  -0.099  -0.144  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1        6.108  -0.686   0.915  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.354  -1.292   1.912  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.966  -1.284   1.810  0.00  0.00    +0.048 A 
ENDBRANCH  13  14
ENDBRANCH   2  12
BRANCH   1  20
ATOM     20  O   LIG    1       -0.594   2.209  -1.758  0.00  0.00    -0.391 OA
BRANCH  20  22
ATOM     21  C   LIG    1        0.331   4.294  -2.239  0.00  0.00    +0.136 C 
ATOM     22  C   LIG    1        0.204   3.175  -1.248  0.00  0.00    +0.311 C 
ATOM     23  O   LIG    1        0.748   3.180  -0.151  0.00  0.00    -0.251 OA
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5