REMARK  Name = BDB000974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.598   0.788  -1.298  0.00  0.00    +0.115 A 
ATOM      2  N   LIG    1       -0.973  -0.156  -0.369  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1       -0.379  -0.525   0.368  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.283  -0.492  -0.591  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -2.653   0.289  -1.677  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -3.962   0.200  -2.171  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -4.862  -0.670  -1.544  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -4.464  -1.449  -0.452  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.151  -1.388   0.047  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -1.605   1.064  -2.107  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        1.787   0.370   0.532  0.00  0.00    -0.299 NA
ATOM     12  C   LIG    1        1.325   1.686   0.074  0.00  0.00    +0.099 C 
ATOM     13  C   LIG    1        0.804   1.369  -1.341  0.00  0.00    +0.040 C 
ATOM     14  C   LIG    1        0.825   2.625  -2.220  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1        1.807   0.309  -1.841  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1        2.532  -0.200  -0.589  0.00  0.00    +0.085 C 
BRANCH  11  18
ATOM     17  C   LIG    1        3.782   1.090   1.935  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        2.437   0.360   1.847  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        2.592  -1.082   2.342  0.00  0.00    +0.024 C 
ENDBRANCH  11  18
ENDBRANCH   1  13
BRANCH   9  20
ATOM     20  C   LIG    1       -2.664  -2.192   1.196  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -1.610  -1.927   1.762  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1       -3.410  -3.270   1.582  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -2.990  -3.867   2.283  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -4.113  -3.683   0.988  0.00  0.00    +0.145 HD
ENDBRANCH   9  20
TORSDOF 3