REMARK  Name = BDB025405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.281   1.590  -0.658  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        3.248   0.197  -0.687  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        4.323  -0.829  -0.718  0.00  0.00    +0.055 C 
ATOM      4  C   LIG    1        3.711  -2.233  -0.511  0.00  0.00    +0.086 C 
ATOM      5  N   LIG    1        2.478  -2.440  -1.302  0.00  0.00    -0.310 NA
ATOM      6  H   LIG    1        2.693  -2.241  -2.280  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1        1.401  -1.525  -0.877  0.00  0.00    +0.137 C 
ATOM      8  C   LIG    1        1.905  -0.136  -0.736  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        1.196   1.058  -0.633  0.00  0.00    -0.201 N 
ATOM     10  C   LIG    1       -0.181   1.371  -0.472  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -0.560   2.523  -0.674  0.00  0.00    -0.270 OA
ATOM     12  N   LIG    1        2.068   2.114  -0.686  0.00  0.00    -0.149 NA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -1.082   0.255   0.029  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1       -2.567   0.471  -0.275  0.00  0.00    -0.013 A 
ATOM     15  C   LIG    1       -3.548   0.167   0.692  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1       -4.906   0.378   0.367  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -5.290   0.813  -0.902  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -4.321   1.059  -1.868  0.00  0.00    +0.002 A 
ATOM     19 CL   LIG    1       -6.152   0.060   1.529  0.00  0.00    -0.082 Cl
ATOM     20  N   LIG    1       -3.182  -0.223   1.994  0.00  0.00    -0.342 N 
ATOM     21  H   LIG    1       -3.941  -0.712   2.467  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1       -1.873  -0.819   2.150  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -2.972   0.883  -1.560  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -0.833   0.100   1.538  0.00  0.00    +0.036 C 
ENDBRANCH  10  13
BRANCH   1  25
ATOM     25  N   LIG    1        4.397   2.326  -0.638  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1        4.268   3.312  -0.842  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        5.260   1.956  -1.015  0.00  0.00    +0.144 HD
ENDBRANCH   1  25
TORSDOF 2