REMARK  Name = BDB025495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.860   0.420  -0.132  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1        3.544   0.794  -0.721  0.00  0.00    +0.142 C 
ATOM      3  C   LIG    1        2.467  -0.183  -0.340  0.00  0.00    +0.083 A 
ATOM      4  N   LIG    1        1.161   0.083  -0.419  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1        0.552  -1.075  -0.005  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        1.497  -2.052   0.337  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -0.855  -1.190   0.020  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -1.363  -2.269   0.320  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.729  -1.493   0.115  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        4.111  -1.997   0.312  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1        5.131  -1.027  -0.337  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.607   0.074  -0.378  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -2.968   0.205   0.305  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.103   0.630  -0.422  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1       -5.354   0.692   0.233  0.00  0.00    -0.029 A 
ATOM     16  C   LIG    1       -5.434   0.444   1.612  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.299   0.103   2.338  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -6.617   1.043  -0.508  0.00  0.00    +0.045 C 
ATOM     19  N   LIG    1       -4.027   0.865  -1.808  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -4.729   1.530  -2.118  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -2.705   1.155  -2.336  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.074  -0.016   1.690  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -1.740   0.070  -1.905  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   6  24
ATOM     24  N   LIG    1        1.170  -3.279   0.804  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1        0.193  -3.589   0.763  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        1.839  -4.043   0.807  0.00  0.00    +0.144 HD
ENDBRANCH   6  24
BRANCH   1  28
ATOM     27  C   LIG    1        5.147   2.302   1.472  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1        4.983   0.797   1.285  0.00  0.00    +0.081 C 
ENDBRANCH   1  28
TORSDOF 3