REMARK  Name = BDB025496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.129   0.447  -0.032  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1        3.955   1.292  -0.396  0.00  0.00    +0.142 C 
ATOM      3  C   LIG    1        2.659   0.592  -0.103  0.00  0.00    +0.083 A 
ATOM      4  N   LIG    1        1.494   1.221   0.024  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1        0.560   0.223   0.194  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        1.207  -1.024   0.336  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -0.808   0.599   0.141  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -1.102   1.794   0.142  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.536  -0.799   0.063  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        3.720  -1.697   0.019  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1        4.951  -0.938  -0.537  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.823  -0.528   0.007  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.233  -0.075   0.380  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.221   0.128  -0.606  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1       -5.528   0.483  -0.201  0.00  0.00    -0.029 A 
ATOM     16  C   LIG    1       -5.801   0.711   1.157  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.808   0.556   2.119  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -6.646   0.642  -1.197  0.00  0.00    +0.045 C 
ATOM     19  N   LIG    1       -3.962  -0.160  -1.960  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -4.525   0.422  -2.575  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -2.565  -0.198  -2.356  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.533   0.158   1.735  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -1.791  -1.104  -1.413  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   6  24
ATOM     24  N   LIG    1        0.625  -2.206   0.675  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -0.008  -2.217   1.475  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        1.251  -3.007   0.769  0.00  0.00    +0.144 HD
ENDBRANCH   6  24
BRANCH   1  28
ATOM     27  C   LIG    1        6.040   1.789   1.855  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1        5.423   0.467   1.409  0.00  0.00    +0.081 C 
ENDBRANCH   1  28
TORSDOF 3