REMARK  Name = BDB025520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.801  -0.701  -0.066  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.083  -0.041   0.953  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -0.276  -0.093   1.341  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1       -0.610   0.335   2.445  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1        1.906   0.833   1.627  0.00  0.00    -0.165 NA
ATOM      6  C   LIG    1        3.042   0.833   0.935  0.00  0.00    +0.094 A 
ATOM      7  C   LIG    1        4.226   1.691   1.240  0.00  0.00    +0.217 C 
ATOM      8  O   LIG    1        5.412   1.262   0.521  0.00  0.00    -0.373 OA
ATOM      9  C   LIG    1        5.139   0.974  -0.863  0.00  0.00    +0.165 C 
ATOM     10  C   LIG    1        4.212  -0.249  -1.010  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        3.021  -0.073  -0.139  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -1.252  -0.632   0.310  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -2.417   0.326   0.048  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -3.725  -0.174  -0.128  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -4.770   0.743  -0.374  0.00  0.00    +0.062 A 
ATOM     16  C   LIG    1       -4.520   2.110  -0.506  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -3.221   2.589  -0.380  0.00  0.00    +0.002 A 
ATOM     18 CL   LIG    1       -6.402   0.193  -0.561  0.00  0.00    -0.082 Cl
ATOM     19  N   LIG    1       -4.008  -1.539   0.065  0.00  0.00    -0.342 N 
ATOM     20  H   LIG    1       -4.869  -1.817  -0.407  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -2.903  -2.465  -0.063  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -2.176   1.705  -0.111  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -1.752  -1.994   0.807  0.00  0.00    +0.036 C 
ENDBRANCH   3  12
BRANCH   1  24
ATOM     24  N   LIG    1        1.369  -1.764  -0.796  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1        0.862  -2.506  -0.316  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        2.054  -2.197  -1.418  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
TORSDOF 2