REMARK  Name = BDB056899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.293  -3.582  -3.248  0.00  0.00    -0.279 OA
ATOM      2  C   LIG    1       -0.616  -2.646  -2.528  0.00  0.00    +0.329 C 
ATOM      3  N   LIG    1        0.212  -1.994  -1.624  0.00  0.00    -0.291 N 
ATOM      4  C   LIG    1       -0.223  -0.657  -1.138  0.00  0.00    +0.155 C 
ATOM      5  C   LIG    1        0.908  -0.000  -0.405  0.00  0.00    +0.046 A 
ATOM      6  N   LIG    1        0.894   1.301   0.022  0.00  0.00    -0.356 N 
ATOM      7  H   LIG    1        0.119   1.942  -0.102  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        2.077   1.593   0.666  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        2.869   0.441   0.630  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.146   0.480   1.223  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        4.585   1.662   1.832  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.773   2.794   1.854  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        2.502   2.782   1.271  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        2.121  -0.551  -0.055  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1        2.437  -1.954  -0.417  0.00  0.00    +0.056 C 
ATOM     16  C   LIG    1        1.647  -2.330  -1.682  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   4  17
ATOM     17  C   LIG    1       -1.464  -0.732  -0.251  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -2.373   0.336  -0.259  0.00  0.00    +0.076 A 
ATOM     19  C   LIG    1       -3.512   0.252   0.576  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -4.429   1.311   0.562  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -4.207   2.413  -0.252  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.065   2.420  -1.026  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -3.714  -0.862   1.405  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -2.788  -1.898   1.428  0.00  0.00    +0.001 A 
ATOM     25  N   LIG    1       -2.155   1.420  -1.035  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1       -1.665  -1.830   0.612  0.00  0.00    +0.008 A 
ENDBRANCH   4  17
TORSDOF 1