REMARK  Name = BDB054502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.497  -1.031   0.741  0.00  0.00    +0.154 C 
ATOM      2  C   LIG    1       -0.729   0.270   0.910  0.00  0.00    +0.056 C 
ATOM      3  C   LIG    1        0.181   0.294   2.130  0.00  0.00    +0.167 C 
ATOM      4  O   LIG    1        1.406   0.932   1.737  0.00  0.00    -0.371 OA
ATOM      5  C   LIG    1        1.391   1.133   0.309  0.00  0.00    +0.154 C 
ATOM      6  C   LIG    1        0.263   0.264  -0.221  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1        0.561  -1.220  -0.368  0.00  0.00    +0.167 C 
ATOM      8  O   LIG    1       -0.641  -1.919  -0.003  0.00  0.00    -0.371 OA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -5.148  -0.101   0.113  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -5.258  -0.367  -1.256  0.00  0.00    +0.158 A 
ATOM     11  C   LIG    1       -4.186  -0.854  -1.990  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -2.968  -1.081  -1.351  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.818  -0.822   0.021  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1       -3.924  -0.329   0.746  0.00  0.00    +0.055 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -6.235   0.612   2.104  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -6.291   0.374   0.703  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1       -6.442  -0.150  -1.907  0.00  0.00    -0.503 OA
ATOM     18  H   LIG    1       -7.052   0.176  -1.217  0.00  0.00    +0.292 HD
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  C   LIG    1        2.737   0.893  -0.338  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        3.844   0.436   0.404  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        5.076   0.217  -0.214  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1        5.195   0.462  -1.585  0.00  0.00    +0.158 A 
ATOM     23  C   LIG    1        4.123   0.920  -2.338  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        2.896   1.138  -1.713  0.00  0.00    +0.010 A 
BRANCH  21  25
ATOM     25  O   LIG    1        6.221  -0.229   0.396  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.144  -0.466   1.797  0.00  0.00    +0.277 C 
ENDBRANCH  21  25
BRANCH  22  27
ATOM     27  O   LIG    1        6.389   0.255  -2.221  0.00  0.00    -0.503 OA
ATOM     28  H   LIG    1        6.994  -0.056  -1.520  0.00  0.00    +0.292 HD
ENDBRANCH  22  27
ENDBRANCH   5  19
TORSDOF 6