REMARK  Name = BDB056467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.448   1.089   0.506  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -0.289   1.033   1.289  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.734   1.964   1.093  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        0.621   2.959   0.110  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -0.532   2.997  -0.686  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -1.558   2.068  -0.489  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -4.999  -0.851  -2.547  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -5.217  -1.452  -1.187  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -4.382  -1.102  -0.111  0.00  0.00    +0.081 A 
ATOM     10  C   LIG    1       -4.618  -1.686   1.139  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -3.734  -1.300   2.249  0.00  0.00    +0.259 A 
ATOM     12  N   LIG    1       -2.733  -0.418   1.934  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1       -2.166  -0.127   2.715  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1       -2.563   0.120   0.679  0.00  0.00    +0.141 A 
ATOM     15  O   LIG    1       -3.882  -1.731   3.387  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -5.657  -2.601   1.338  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1       -6.479  -2.943   0.269  0.00  0.00    +0.001 A 
ATOM     18  N   LIG    1       -3.339  -0.178  -0.315  0.00  0.00    -0.229 NA
ATOM     19  C   LIG    1       -6.261  -2.373  -0.986  0.00  0.00    +0.005 A 
ENDBRANCH   1  14
BRANCH   4  20
ATOM     20  C   LIG    1        1.746   3.937  -0.117  0.00  0.00    +0.142 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.817   3.323  -0.860  0.00  0.00    -0.277 N 
ATOM     22  H   LIG    1        2.643   2.998  -1.799  0.00  0.00    +0.152 HD
ATOM     23  C   LIG    1        3.902   2.775  -0.249  0.00  0.00    +0.401 C 
ATOM     24  O   LIG    1        4.181   2.894   0.934  0.00  0.00    -0.226 OA
BRANCH  23  25
ATOM     25  O   LIG    1        4.604   2.065  -1.161  0.00  0.00    -0.446 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.732   1.348  -0.646  0.00  0.00    +0.269 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.317  -0.054  -0.281  0.00  0.00    -0.010 A 
ATOM     28  C   LIG    1        5.061  -0.394   1.055  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.656  -1.687   1.391  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.495  -2.648   0.395  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.735  -2.318  -0.938  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.141  -1.026  -1.275  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6