REMARK  Name = BDB016267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.372   2.469   0.356  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.723   1.936  -0.920  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.713   0.967  -0.679  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.008  -0.239  -0.111  0.00  0.00    +0.150 A 
ATOM      5  C   LIG    1       -3.252  -0.893  -0.117  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -3.373  -2.130   0.548  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.288  -2.733   1.177  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.051  -2.106   1.154  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -4.443  -0.464  -0.729  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -5.271  -1.027  -0.569  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.727   0.577  -1.548  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.889   0.716  -1.938  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.895  -0.866   0.515  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -3.650   1.492  -2.024  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        0.422  -0.241   0.545  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        1.609  -0.890   0.275  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1        2.625   0.036   0.404  0.00  0.00    -0.239 N 
ATOM     18  N   LIG    1        2.136   1.253   0.763  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1        0.816   1.079   0.832  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        4.023  -0.164   0.216  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        4.537  -1.414  -0.157  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        5.915  -1.579  -0.334  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        6.782  -0.505  -0.142  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.278   0.740   0.227  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        4.904   0.912   0.406  0.00  0.00    +0.028 A 
ENDBRANCH  17  20
ENDBRANCH  13  15
TORSDOF 2