REMARK  Name = BDB026505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.883  -0.568   0.708  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -2.716  -0.025  -0.574  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.567   0.769  -0.557  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.133   1.445  -1.680  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.893   1.305  -2.845  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.054   0.505  -2.862  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -1.026   0.718   0.735  0.00  0.00    -0.290 N 
ATOM      8  C   LIG    1       -3.477  -0.174  -1.715  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -1.832  -0.120   1.538  0.00  0.00    +0.331 A 
ATOM     10  O   LIG    1       -1.673  -0.388   2.718  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -3.920  -1.481   1.120  0.00  0.00    +0.162 C 
BRANCH  11  14
ATOM     12  C   LIG    1       -6.363  -2.832  -0.044  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -6.442  -1.493   0.638  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1       -5.302  -0.858   1.181  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -5.466   0.369   1.853  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -6.716   0.977   1.950  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.830   0.364   1.388  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -7.695  -0.863   0.741  0.00  0.00    +0.004 A 
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1        0.219   1.318   1.157  0.00  0.00    +0.159 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.454   0.531   0.682  0.00  0.00    +0.148 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.556  -0.715   1.384  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        2.498  -0.969   1.327  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.744   1.344   0.935  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.967   0.553   0.664  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.134   0.283  -0.781  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.464  -0.349  -1.138  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.563  -0.265  -0.267  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.789  -0.837  -0.634  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.931  -1.466  -1.870  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.850  -1.533  -2.745  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.402   0.378   1.085  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.623  -0.976  -2.383  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        5.155   1.269   1.165  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 7