REMARK  Name = BDB051713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.028   0.940  -0.597  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -1.052   0.161  -0.723  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -2.134   0.536  -0.026  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -3.339  -0.262  -0.154  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -3.545  -1.453  -0.783  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -2.585  -2.256  -1.501  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1       -4.820  -1.885  -0.687  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1       -5.472  -0.921  -0.009  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -4.569   0.120   0.351  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.751   1.442   1.019  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.421   1.966   1.619  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -2.195   1.648   0.799  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -1.026   2.359   0.875  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        0.085   2.027   0.189  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -6.913  -1.029   0.261  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -7.736  -1.529  -0.501  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -7.322  -0.565   1.487  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -6.649  -0.539   2.240  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -8.268  -0.832   1.726  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1        1.130   0.549  -1.332  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        0.989  -0.410  -1.625  0.00  0.00    +0.149 HD
BRANCH  20  25
ATOM     22  N   LIG    1        4.839  -0.923  -0.735  0.00  0.00    -0.302 NA
ATOM     23  C   LIG    1        4.851   0.369  -1.423  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1        3.468   0.708  -1.967  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1        2.457   0.884  -0.823  0.00  0.00    +0.076 C 
ATOM     26  C   LIG    1        2.828   0.037   0.406  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1        3.620  -1.210   0.023  0.00  0.00    +0.086 C 
BRANCH  22  29
ATOM     28  C   LIG    1        6.363  -0.409   1.224  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1        6.087  -1.230  -0.033  0.00  0.00    +0.081 C 
ENDBRANCH  22  29
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 4