REMARK  Name = BDB000972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.361   0.183   0.421  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.658   0.566  -0.418  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.607   1.283  -1.133  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.748  -0.231  -0.171  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.321  -1.088   0.833  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.202  -2.062   1.323  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.487  -2.145   0.773  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.894  -1.268  -0.238  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.031  -0.273  -0.731  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.024  -0.817   1.193  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.445  -0.456  -1.543  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -2.385   0.873  -0.919  0.00  0.00    -0.296 NA
ATOM     13  C   LIG    1       -1.686   0.875   0.393  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1       -2.708   0.332   1.389  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1       -4.058   0.726   0.800  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -3.743   1.324  -0.567  0.00  0.00    +0.085 C 
ENDBRANCH   1  13
BRANCH   9  17
ATOM     17  C   LIG    1        3.397   0.697  -1.793  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        2.548   1.399  -2.333  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1        4.715   0.816  -2.131  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        4.942   1.563  -2.775  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        5.463   0.461  -1.554  0.00  0.00    +0.145 HD
ENDBRANCH   9  17
TORSDOF 2