REMARK  Name = BDB002997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.915  -0.666   0.848  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        0.003   0.502   0.527  0.00  0.00    +0.261 A 
ATOM      3  O   LIG    1        0.371   1.653   0.747  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1       -1.219   0.151   0.002  0.00  0.00    -0.260 N 
ATOM      5  C   LIG    1       -1.656  -1.153  -0.222  0.00  0.00    +0.137 A 
ATOM      6  N   LIG    1       -2.938  -1.139  -0.765  0.00  0.00    -0.338 N 
ATOM      7  H   LIG    1       -3.589  -1.889  -0.577  0.00  0.00    +0.167 HD
ATOM      8  C   LIG    1       -3.355   0.203  -0.750  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1       -4.548   0.747  -1.167  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -4.673   2.140  -1.121  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.608   2.954  -0.682  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.389   2.395  -0.283  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.867  -2.190   0.105  0.00  0.00    +0.096 A 
ATOM     14  C   LIG    1       -2.281   1.022  -0.334  0.00  0.00    +0.075 A 
ATOM     15  C   LIG    1        0.474  -1.937   0.659  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1        1.305  -3.161   0.972  0.00  0.00    +0.045 C 
ENDROOT
BRANCH  13  17
ATOM     17  C   LIG    1       -1.340  -3.521  -0.103  0.00  0.00    +0.103 C 
ATOM     18  N   LIG    1       -1.734  -4.601  -0.260  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
BRANCH   1  19
ATOM     19  C   LIG    1        2.269  -0.289   1.415  0.00  0.00    +0.041 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.408  -0.330   0.385  0.00  0.00    +0.005 C 
BRANCH  20  22
ATOM     21  C   LIG    1        3.641   2.142  -0.187  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1        3.346   0.743  -0.706  0.00  0.00    -0.003 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 4