REMARK  Name = BDB055259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.346   0.399   0.004  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1       -1.169  -0.349  -0.121  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.016   0.240  -0.639  0.00  0.00    +0.143 A 
ATOM      4  O   LIG    1        1.101  -0.548  -0.687  0.00  0.00    -0.478 OA
ATOM      5  C   LIG    1        2.140  -0.045  -1.520  0.00  0.00    +0.259 C 
ATOM      6  C   LIG    1        2.291   1.480  -1.678  0.00  0.00    +0.258 C 
ATOM      7  N   LIG    1        1.136   2.190  -1.491  0.00  0.00    -0.280 N 
ATOM      8  H   LIG    1        1.177   3.184  -1.667  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1        3.326   2.041  -2.030  0.00  0.00    -0.271 OA
ATOM     10  C   LIG    1       -0.028   1.584  -1.019  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1       -1.193   2.339  -0.893  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.352   1.744  -0.388  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -5.343   0.123  -1.344  0.00  0.00    +0.070 C 
ATOM     14  C   LIG    1       -4.852  -0.328  -0.021  0.00  0.00    +0.088 A 
ATOM     15  C   LIG    1       -3.549  -0.206   0.532  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -3.658  -0.797   1.773  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1       -2.736  -1.026   2.903  0.00  0.00    +0.090 C 
ATOM     18  O   LIG    1       -4.930  -1.246   1.944  0.00  0.00    -0.359 OA
ATOM     19  N   LIG    1       -5.683  -0.950   0.824  0.00  0.00    -0.083 NA
ENDBRANCH   1  15
BRANCH   5  20
ATOM     20  C   LIG    1        3.470  -0.708  -1.118  0.00  0.00    +0.057 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.088  -0.249   0.223  0.00  0.00    -0.013 C 
ATOM     22  C   LIG    1        3.197  -0.525   1.434  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        5.442  -0.940   0.419  0.00  0.00    +0.007 C 
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 3