REMARK  Name = BDB025508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.219   0.977  -0.090  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1       -1.558   0.556   0.075  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -2.694   1.362   0.252  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -3.767   0.508   0.315  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -5.221   0.721   0.511  0.00  0.00    +0.200 C 
ATOM      6  O   LIG    1       -5.987  -0.471   0.217  0.00  0.00    -0.375 OA
ATOM      7  C   LIG    1       -5.425  -1.650   0.824  0.00  0.00    +0.166 C 
ATOM      8  C   LIG    1       -4.060  -2.001   0.206  0.00  0.00    +0.085 C 
ATOM      9  C   LIG    1       -3.216  -0.779   0.192  0.00  0.00    +0.073 A 
ATOM     10  N   LIG    1       -1.891  -0.776   0.054  0.00  0.00    -0.167 NA
ATOM     11  O   LIG    1        0.027   2.180  -0.139  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1        5.875  -0.004  -0.680  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        4.605   0.256   0.085  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        3.343  -0.141  -0.414  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1        3.256  -0.765  -1.674  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        4.081  -1.320  -1.880  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1        2.017  -1.472  -1.952  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1        0.843  -0.547  -1.710  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1        0.793  -0.153  -0.230  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1        2.178   0.211   0.303  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1        2.299   0.828   1.562  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.548   1.165   2.072  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.693   0.891   1.334  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   3  24
ATOM     24  N   LIG    1       -2.643   2.712   0.344  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -1.765   3.192   0.112  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -3.464   3.287   0.173  0.00  0.00    +0.144 HD
ENDBRANCH   3  24
TORSDOF 2