REMARK  Name = BDB025519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.266  -1.080   0.645  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.907  -1.007   0.294  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -0.098  -1.964   0.558  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1        0.192  -2.989   1.180  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1        0.631   0.162  -0.358  0.00  0.00    -0.165 NA
ATOM      6  C   LIG    1        1.785   0.827  -0.359  0.00  0.00    +0.094 A 
ATOM      7  C   LIG    1        1.993   2.176  -0.966  0.00  0.00    +0.217 C 
ATOM      8  O   LIG    1        3.275   2.750  -0.598  0.00  0.00    -0.373 OA
ATOM      9  C   LIG    1        4.351   1.799  -0.709  0.00  0.00    +0.165 C 
ATOM     10  C   LIG    1        4.205   0.657   0.317  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        2.833   0.100   0.237  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -1.500  -1.677   0.055  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -2.164  -0.426   0.608  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -2.995   0.355  -0.223  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -3.566   1.529   0.311  0.00  0.00    +0.062 A 
ATOM     16  C   LIG    1       -3.383   1.881   1.649  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -2.615   1.069   2.479  0.00  0.00    +0.002 A 
ATOM     18 CL   LIG    1       -4.555   2.557  -0.672  0.00  0.00    -0.082 Cl
ATOM     19  N   LIG    1       -3.155   0.035  -1.587  0.00  0.00    -0.342 N 
ATOM     20  H   LIG    1       -4.002   0.455  -1.968  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -2.948  -1.355  -1.949  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -2.014  -0.079   1.965  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -1.578  -1.803  -1.471  0.00  0.00    +0.036 C 
ENDBRANCH   3  12
BRANCH   1  24
ATOM     24  N   LIG    1        2.828  -2.144   1.262  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1        3.726  -2.069   1.732  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        2.227  -2.883   1.641  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
TORSDOF 2