REMARK  Name = BDB018768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.791  -0.175  -1.409  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -1.859  -0.533  -0.569  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -3.177  -0.565  -1.044  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -4.309  -1.021  -0.161  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -5.652  -0.406  -0.586  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -5.757   1.077  -0.201  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -6.238   1.079   1.211  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -6.810  -0.253   1.528  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -5.842  -0.531  -2.092  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -4.737  -0.305  -2.869  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -4.902  -0.259  -3.868  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -6.934  -0.726  -2.622  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -6.822  -1.004   0.203  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -3.430  -0.249  -2.380  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -2.387   0.090  -3.237  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -1.078   0.134  -2.750  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        3.286  -0.052   0.085  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        2.695   1.049  -0.551  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        1.378   1.014  -1.036  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        0.590  -0.134  -0.903  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        1.166  -1.240  -0.271  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        2.484  -1.195   0.211  0.00  0.00    +0.024 A 
BRANCH  17  27
ATOM     23  C   LIG    1        8.208   1.037   2.213  0.00  0.00    +0.105 C 
ATOM     24  N   LIG    1        7.423   0.007   1.538  0.00  0.00    -0.302 NA
ATOM     25  C   LIG    1        7.010   0.430   0.183  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1        5.564   0.967   0.056  0.00  0.00    +0.120 C 
ATOM     27  N   LIG    1        4.584  -0.009   0.563  0.00  0.00    -0.327 N 
ATOM     28  C   LIG    1        5.082  -0.979   1.553  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1        6.256  -0.378   2.360  0.00  0.00    +0.103 C 
ENDBRANCH  17  27
ENDBRANCH   1  20
BRANCH   7  30
ATOM     30  C   LIG    1       -6.441   2.184   1.938  0.00  0.00    +0.169 C 
ATOM     31  N   LIG    1       -6.619   3.139   2.567  0.00  0.00    -0.174 NA
ENDBRANCH   7  30
TORSDOF 3