REMARK  Name = BDB000938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.229  -1.113   0.698  0.00  0.00    +0.114 A 
ATOM      2  N   LIG    1        1.117  -0.200   0.192  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        0.891   0.718  -0.176  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.377  -0.737   0.283  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.176  -1.982   0.866  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.281  -2.807   1.118  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.559  -2.345   0.782  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.736  -1.087   0.194  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.639  -0.251  -0.083  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.842  -2.202   1.111  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.755   1.089  -0.710  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        2.814   1.876  -0.710  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.931   1.409  -1.327  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.617   0.715  -1.585  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.936   2.278  -1.845  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  18
ATOM     16  N   LIG    1       -1.843   0.956  -0.046  0.00  0.00    -0.301 NA
ATOM     17  C   LIG    1       -1.988  -0.431  -0.529  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -1.318  -0.902   0.785  0.00  0.00    +0.083 C 
ATOM     19  C   LIG    1       -1.763   0.471   1.346  0.00  0.00    +0.097 C 
BRANCH  16  20
ATOM     20  C   LIG    1       -2.976   1.827  -0.356  0.00  0.00    +0.084 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -5.125   0.509   0.241  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.309   1.779   0.411  0.00  0.00    +0.012 C 
ENDBRANCH  20  22
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 4