REMARK  Name = BDB033833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.330  -1.106   0.510  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -2.055  -2.312   0.513  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -3.430  -2.187   0.316  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -4.155  -3.369   0.309  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -3.651  -4.620   0.484  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -2.327  -4.703   0.694  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -4.041  -1.005   0.148  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -3.272   0.094   0.189  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.498  -3.597   0.719  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -1.941   0.084   0.367  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        5.212   2.642   0.135  0.00  0.00    +0.104 C 
ATOM     12  N   LIG    1        4.641   1.444  -0.459  0.00  0.00    -0.305 NA
ATOM     13  C   LIG    1        3.175   1.472  -0.530  0.00  0.00    +0.091 C 
ATOM     14  C   LIG    1        2.692   0.046  -0.168  0.00  0.00    -0.013 C 
ATOM     15  C   LIG    1        2.142   0.005   1.288  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1        0.616   0.081   1.296  0.00  0.00    +0.107 C 
ATOM     17  N   LIG    1        0.076  -1.125   0.649  0.00  0.00    -0.315 N 
ATOM     18  C   LIG    1        0.761  -1.562  -0.585  0.00  0.00    +0.107 C 
ATOM     19  C   LIG    1        1.627  -0.448  -1.170  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1        3.995  -0.768  -0.249  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1        5.044   0.220   0.229  0.00  0.00    +0.084 C 
ENDBRANCH   1  17
BRANCH   8  22
ATOM     22  C   LIG    1       -3.931   1.402   0.019  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -5.319   1.510  -0.153  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1       -5.894   2.762  -0.309  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -5.193   3.913  -0.307  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1       -3.860   3.806  -0.141  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -3.198   2.599   0.022  0.00  0.00    +0.031 A 
ENDBRANCH   8  22
TORSDOF 2