REMARK  Name = BDB032513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.712  -0.470   0.954  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1        0.375  -0.184   0.124  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        1.588   0.151   0.705  0.00  0.00    +0.215 A 
ATOM      4  N   LIG    1        1.787   0.224   2.036  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.725  -0.049   2.823  0.00  0.00    +0.115 A 
ATOM      6  C   LIG    1       -0.526  -0.395   2.338  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.058  -0.832   0.379  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1       -2.994   0.253   0.640  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1       -2.566   1.168   0.512  0.00  0.00    +0.146 HD
BRANCH   8  18
ATOM     10  C   LIG    1       -6.861  -2.307  -1.162  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -6.247  -0.994  -0.751  0.00  0.00    -0.040 A 
ATOM     12  C   LIG    1       -6.979   0.220  -0.818  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -6.363   1.414  -0.397  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -7.085   2.614  -0.444  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -8.388   2.598  -0.911  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -9.017   1.484  -1.329  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -5.037   1.385   0.068  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1       -4.284   0.203   0.102  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -8.304   0.333  -1.271  0.00  0.00    +0.119 A 
ATOM     20  C   LIG    1       -4.921  -0.982  -0.278  0.00  0.00    +0.027 A 
ENDBRANCH   8  18
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  21
ATOM     21  O   LIG    1        2.624   0.415  -0.170  0.00  0.00    -0.476 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.871   0.742   0.451  0.00  0.00    +0.234 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.681  -0.522   0.802  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        4.966  -1.398  -0.428  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        6.025  -0.787  -1.348  0.00  0.00    +0.084 C 
ATOM     26  N   LIG    1        7.265  -0.505  -0.614  0.00  0.00    -0.305 NA
ATOM     27  C   LIG    1        8.284   0.034  -1.515  0.00  0.00    +0.104 C 
ATOM     28  C   LIG    1        7.036   0.408   0.512  0.00  0.00    +0.084 C 
ATOM     29  C   LIG    1        6.005  -0.164   1.488  0.00  0.00    +0.022 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6