REMARK  Name = BDB008952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.242  -0.457   0.963  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.857  -0.972   0.041  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -2.265  -0.489   0.218  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.640   0.407   1.366  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -4.152   0.577   1.546  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -4.855   0.748   0.205  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -4.601  -0.459  -0.699  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.163  -0.900  -0.694  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -2.760  -1.843  -1.767  0.00  0.00    +0.268 A 
ATOM     10  O   LIG    1       -3.557  -2.243  -2.610  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -1.453  -2.247  -1.746  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -1.153  -2.889  -2.472  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -0.497  -1.813  -0.883  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  16
ATOM     14  C   LIG    1        3.480   0.934  -0.138  0.00  0.00    +0.126 A 
ATOM     15  N   LIG    1        2.557   0.132   0.468  0.00  0.00    -0.247 NA
ATOM     16  C   LIG    1        1.249   0.418   0.254  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.845   1.506  -0.523  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        1.810   2.309  -1.127  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.156   2.021  -0.936  0.00  0.00    +0.033 A 
BRANCH  14  23
ATOM     20  C   LIG    1        6.402  -1.101   1.125  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1        5.106  -0.520   0.905  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        4.262  -1.029   1.157  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        4.919   0.582   0.097  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1        5.829   1.229  -0.408  0.00  0.00    -0.269 OA
ENDBRANCH  14  23
ENDBRANCH   1  16
TORSDOF 3