REMARK  Name = BDB025347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.154  -1.624   1.125  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -1.855  -1.197   0.758  0.00  0.00    -0.182 N 
ATOM      3  C   LIG    1       -1.321  -0.879  -0.505  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1       -0.032  -0.459  -0.276  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.037   0.024  -1.184  0.00  0.00    +0.059 C 
ATOM      6  C   LIG    1        2.098   0.801  -0.384  0.00  0.00    +0.116 C 
ATOM      7  N   LIG    1        2.505   0.097   0.846  0.00  0.00    -0.261 N 
ATOM      8  C   LIG    1        1.457  -0.277   1.812  0.00  0.00    +0.168 C 
ATOM      9  C   LIG    1        3.800   0.141   1.333  0.00  0.00    +0.404 C 
ATOM     10  O   LIG    1        4.114  -0.242   2.452  0.00  0.00    -0.226 OA
ATOM     11  C   LIG    1        0.179  -0.606   1.109  0.00  0.00    +0.086 A 
ATOM     12  N   LIG    1       -0.903  -1.062   1.738  0.00  0.00    -0.165 NA
ATOM     13  O   LIG    1       -3.337  -2.086   2.253  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  20
ATOM     14  C   LIG    1       -5.313   3.221  -1.208  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1       -5.262   1.760  -0.959  0.00  0.00    +0.014 A 
ATOM     16  N   LIG    1       -6.168   0.898  -1.524  0.00  0.00    -0.358 N 
ATOM     17  H   LIG    1       -6.929   1.170  -2.131  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1       -5.907  -0.397  -1.135  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -4.792  -0.361  -0.295  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.324  -1.583   0.237  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -5.001  -2.780  -0.046  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -6.110  -2.776  -0.889  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -6.578  -1.586  -1.455  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -4.402   1.006  -0.188  0.00  0.00    +0.031 A 
ENDBRANCH   1  20
BRANCH   3  25
ATOM     25  N   LIG    1       -1.957  -0.990  -1.694  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -1.446  -0.873  -2.566  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -2.837  -1.483  -1.826  0.00  0.00    +0.144 HD
ENDBRANCH   3  25
BRANCH   9  28
ATOM     28  O   LIG    1        4.672   0.656   0.428  0.00  0.00    -0.445 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.084   0.782   0.736  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1        6.703   1.391  -0.532  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        6.727  -0.587   0.983  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        6.317   1.747   1.904  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 4