REMARK  Name = BDB052282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.460  -2.178  -0.462  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.251  -1.462  -0.399  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.901  -1.968  -1.040  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        0.804  -3.174  -1.720  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1        2.053  -3.403  -2.226  0.00  0.00    -0.276 N 
ATOM      6  H   LIG    1        2.358  -4.193  -2.781  0.00  0.00    +0.189 HD
ATOM      7  N   LIG    1        2.951  -2.450  -1.932  0.00  0.00    -0.173 NA
ATOM      8  C   LIG    1       -0.379  -3.911  -1.802  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.260  -1.558  -1.206  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1       -1.508  -3.387  -1.158  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     11  O   LIG    1       -4.291  -3.092  -0.300  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.870  -2.073   0.242  0.00  0.00    +0.222 C 
ATOM     13  N   LIG    1       -2.565  -1.610   0.206  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.391  -0.724   0.668  0.00  0.00    +0.155 HD
BRANCH  12  15
ATOM     15  C   LIG    1       -4.801  -1.232   1.109  0.00  0.00    +0.131 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.642   0.263   0.951  0.00  0.00    -0.039 A 
ATOM     17  C   LIG    1       -4.901   0.877  -0.283  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -4.735   2.254  -0.435  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.314   3.030   0.644  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.063   2.431   1.876  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.227   1.054   2.032  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   1  13
BRANCH   9  22
ATOM     22  C   LIG    1        2.822  -0.351  -0.670  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1        4.107   0.020  -0.803  0.00  0.00    +0.010 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.667   1.254  -0.238  0.00  0.00    -0.025 A 
ATOM     25  C   LIG    1        3.992   2.480  -0.308  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        4.569   3.639   0.217  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.829   3.585   0.809  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.517   2.375   0.870  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.941   1.216   0.343  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
ENDBRANCH   9  22
TORSDOF 5