REMARK  Name = BDB060431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.167   0.769  -0.118  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.201   0.169  -0.932  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.087   1.147   0.329  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        1.352   1.729   1.373  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -3.981  -3.238  -1.374  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -3.969  -1.937  -0.752  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -3.562  -1.889   0.172  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -5.043  -1.093  -0.911  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -5.005   0.083  -0.153  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.840   0.698   0.416  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.978   1.591   1.493  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -2.841   2.150   2.093  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.566   1.878   1.594  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.411   1.056   0.483  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -5.340   1.944   2.022  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -6.306   1.999   0.853  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.552   0.483  -0.102  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -6.320   0.656   0.142  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -6.006  -1.407  -1.609  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        2.213   0.745  -0.559  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        3.422   0.353   0.033  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        4.512  -0.035  -0.757  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1        4.374  -0.010  -2.153  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        3.177   0.399  -2.748  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.096   0.781  -1.954  0.00  0.00    +0.013 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.759  -0.443  -0.130  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.680  -1.316  -0.673  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        7.686  -1.434   0.242  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.877  -2.240   0.126  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.489  -0.702   1.352  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.317  -0.102   1.125  0.00  0.00    +0.142 A 
ENDBRANCH  22  26
ENDBRANCH   3  20
TORSDOF 3