REMARK  Name = BDB008902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.450  -1.763   0.584  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.519  -1.397  -0.442  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -3.373  -0.187  -0.221  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.172   0.691   0.982  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -3.917   2.027   0.895  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -5.325   1.839   0.345  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -5.289   1.206  -1.047  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -4.319   0.061  -1.143  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.454  -0.822  -2.329  0.00  0.00    +0.268 A 
ATOM     10  O   LIG    1       -5.292  -0.612  -3.200  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -3.589  -1.880  -2.388  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -3.665  -2.498  -3.189  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -2.635  -2.186  -1.469  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1        2.276   0.432   0.208  0.00  0.00    -0.034 A 
ATOM     15  C   LIG    1        1.659   0.269   1.456  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        0.460  -0.439   1.572  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -0.165  -0.980   0.440  0.00  0.00    -0.041 A 
ATOM     18  C   LIG    1        0.454  -0.824  -0.806  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        1.653  -0.115  -0.922  0.00  0.00    +0.005 A 
BRANCH  14  20
ATOM     20  C   LIG    1        3.555   1.229   0.087  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.559   0.628  -0.795  0.00  0.00    -0.310 NA
ATOM     22  H   LIG    1        5.111   1.379  -1.206  0.00  0.00    +0.122 HD
BRANCH  21  24
ATOM     23  C   LIG    1        4.807  -1.527   0.503  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        5.481  -0.338  -0.180  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        6.484   0.336   0.761  0.00  0.00    +0.023 C 
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  14  20
ENDBRANCH   1  17
TORSDOF 5