REMARK  Name = BDB049668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.483  -0.631  -0.355  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.689   0.035  -0.660  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.014   0.992   0.280  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.600   0.830   1.185  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.373  -0.250  -1.638  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.063   1.930   0.223  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -4.367   2.627   1.399  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -5.385   3.586   1.417  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -6.100   3.856   0.252  0.00  0.00    +0.013 A 
ATOM     10  I   LIG    1       -7.613   5.279   0.272  0.00  0.00    -0.044 I 
ATOM     11  C   LIG    1       -5.801   3.175  -0.926  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1       -4.781   2.217  -0.939  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        2.695  -0.001  -0.274  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1        1.803   0.058  -1.446  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        0.455   0.739  -1.201  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -0.293   0.173   0.019  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        0.645  -0.537   0.999  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.005   0.159   1.007  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        3.945   0.782  -0.442  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1        4.831   0.081  -1.488  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     21  C   LIG    1        4.744   0.991   0.876  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.290   0.972   0.696  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.028   1.822   0.735  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1       -1.265  -1.885  -1.085  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.032  -3.036  -0.471  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -1.505  -3.754   0.612  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.220  -4.809   1.183  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.472  -5.156   0.682  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.012  -4.447  -0.389  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.297  -3.393  -0.961  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7