REMARK  Name = BDB027632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.588   0.968   0.016  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.106   2.283   0.123  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.276   2.407   0.260  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.764   3.702   0.358  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.023   4.841   0.340  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.306   4.684   0.220  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.105   1.353   0.299  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.550   0.135   0.213  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.912   3.446   0.111  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.233  -0.092   0.074  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.445  -1.035   0.269  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.943  -2.346   0.294  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.824  -3.414   0.347  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.165  -3.280   0.375  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.644  -2.020   0.352  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.841  -0.891   0.301  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.975   0.759  -0.160  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1       -2.226   1.261  -1.014  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -3.982  -0.549  -0.567  0.00  0.00    +0.043 C 
ATOM     20  C   LIG    1       -2.474  -0.644  -0.258  0.00  0.00    +0.125 C 
ATOM     21  C   LIG    1       -2.318  -1.379   1.081  0.00  0.00    +0.043 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -1.842  -1.376  -1.461  0.00  0.00    +0.328 C 
ATOM     23  O   LIG    1       -1.612  -0.874  -2.555  0.00  0.00    -0.249 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -1.611  -2.691  -1.271  0.00  0.00    -0.479 OA
ATOM     25  H   LIG    1       -1.218  -2.978  -2.123  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 5