REMARK  Name = BDB062472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.476   0.350  -2.225  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1       -6.007   0.230   1.221  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -5.142  -0.907   1.683  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -5.503  -1.677   2.567  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -3.924  -1.053   1.071  0.00  0.00    -0.321 N 
ATOM      6  H   LIG    1       -3.352  -1.821   1.394  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -3.464  -0.195   0.066  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1       -4.257   0.869  -0.358  0.00  0.00    +0.088 A 
ATOM      9  N   LIG    1       -3.892   1.742  -1.321  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -2.676   1.540  -1.880  0.00  0.00    +0.116 A 
ATOM     11  C   LIG    1       -1.802   0.513  -1.522  0.00  0.00    -0.013 A 
ATOM     12  C   LIG    1       -2.222  -0.380  -0.527  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -5.562   1.064   0.263  0.00  0.00    +0.038 A 
BRANCH   2  15
ATOM     14  C   LIG    1       -8.380  -0.581   1.381  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -7.338   0.401   1.898  0.00  0.00    +0.037 C 
ENDBRANCH   2  15
ENDBRANCH   1  11
BRANCH   1  16
ATOM     16  N   LIG    1        0.648   0.122  -1.302  0.00  0.00    -0.294 NA
ATOM     17  C   LIG    1        1.826  -0.353  -2.050  0.00  0.00    +0.121 C 
ATOM     18  C   LIG    1        3.071  -0.469  -1.206  0.00  0.00    -0.012 A 
ATOM     19  C   LIG    1        3.191   0.228  -0.002  0.00  0.00    +0.048 A 
ATOM     20  N   LIG    1        4.309   0.194   0.764  0.00  0.00    -0.247 NA
ATOM     21  C   LIG    1        5.348  -0.555   0.323  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        5.319  -1.277  -0.865  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        2.029   1.017   0.535  0.00  0.00    +0.071 C 
ATOM     24  C   LIG    1        4.165  -1.224  -1.641  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        0.999   1.341  -0.550  0.00  0.00    +0.091 C 
BRANCH  21  26
ATOM     26  C   LIG    1        6.569  -0.574   1.195  0.00  0.00    +0.262 C 
ATOM     27  N   LIG    1        7.787  -0.552   0.526  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1        7.792  -0.257  -0.441  0.00  0.00    +0.149 HD
ATOM     29  C   LIG    1        9.014  -0.426   1.271  0.00  0.00    +0.128 C 
ATOM     30  O   LIG    1        6.482  -0.591   2.418  0.00  0.00    -0.269 OA
ENDBRANCH  21  26
ENDBRANCH   1  16
TORSDOF 4