REMARK  Name = BDB050516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.695   3.483   2.842  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.327   2.851   2.894  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.886   2.189   1.756  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.502   1.670   1.802  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.309   0.634   0.755  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.222  -0.240   0.513  0.00  0.00    +0.152 A 
ATOM      7  N   LIG    1       -1.456  -1.004  -0.562  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.672  -0.632  -1.004  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.215   0.365  -0.249  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.524   1.041  -0.399  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.502   2.352   0.420  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.654   2.924   3.922  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -0.109  -0.273   1.303  0.00  0.00    -0.283 N 
ATOM     14  C   LIG    1        1.234  -0.192   0.825  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        2.336  -0.477   1.657  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1        3.647  -0.377   1.159  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.899   0.035  -0.156  0.00  0.00    -0.012 A 
ATOM     18  C   LIG    1        2.821   0.375  -0.987  0.00  0.00    -0.041 A 
ATOM     19  C   LIG    1        3.010   0.848  -2.402  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        2.149  -0.937   3.079  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        0.749  -0.636   3.580  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        1.511   0.250  -0.484  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -0.255  -1.077   2.529  0.00  0.00    +0.113 C 
BRANCH  17  24
ATOM     24  C   LIG    1        5.275   0.106  -0.599  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.826  -0.687  -1.582  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        7.140  -0.328  -1.663  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.136  -0.874  -2.552  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.490   0.634  -0.788  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.352   0.891  -0.135  0.00  0.00    +0.142 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.269  -1.287  -2.158  0.00  0.00    +0.135 C 
ATOM     31  C   LIG    1       -4.098  -2.501  -1.748  0.00  0.00    +0.186 C 
ATOM     32  O   LIG    1       -3.452  -3.680  -2.259  0.00  0.00    -0.378 OA
ATOM     33  C   LIG    1       -2.144  -3.299  -2.702  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -2.278  -1.863  -3.156  0.00  0.00    +0.057 C 
ENDBRANCH   8  30
TORSDOF 3