REMARK  Name = BDB051141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.356   0.848  -0.400  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.710  -0.441  -0.802  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.474  -1.263   0.029  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.895  -0.804   1.283  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        1.548   0.494   1.678  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.782   1.315   0.842  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.391   1.545  -1.308  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.907   2.814  -0.888  0.00  0.00    +0.247 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.847   3.326  -1.983  0.00  0.00    +0.145 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -4.051   2.523  -1.237  0.00  0.00    +0.217 C 
ATOM     11  N   LIG    1       -3.009   2.467  -2.142  0.00  0.00    -0.312 N 
ATOM     12  H   LIG    1       -2.838   1.566  -2.574  0.00  0.00    +0.149 HD
ATOM     13  O   LIG    1       -4.148   3.388  -0.371  0.00  0.00    -0.275 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -5.050   1.385  -1.381  0.00  0.00    +0.122 C 
BRANCH  14  17
ATOM     15  C   LIG    1       -3.712  -2.138  -0.344  0.00  0.00    +0.035 C 
ATOM     16  C   LIG    1       -4.224  -0.979  -1.136  0.00  0.00    -0.034 C 
ATOM     17  C   LIG    1       -4.559   0.203  -0.595  0.00  0.00    -0.022 C 
ENDBRANCH  14  17
ENDBRANCH  10  14
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1        2.738  -1.685   2.177  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.196  -1.638   1.846  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        4.915  -2.566   1.198  0.00  0.00    +0.204 A 
ATOM     21  N   LIG    1        6.234  -2.270   1.061  0.00  0.00    -0.287 N 
ATOM     22  H   LIG    1        6.921  -2.845   0.600  0.00  0.00    +0.172 HD
ATOM     23  C   LIG    1        6.637  -1.076   1.611  0.00  0.00    +0.291 A 
ATOM     24  O   LIG    1        7.766  -0.618   1.605  0.00  0.00    -0.260 OA
ATOM     25  S   LIG    1        5.226  -0.309   2.345  0.00  0.00    -0.028 S 
BRANCH  20  26
ATOM     26  O   LIG    1        4.439  -3.731   0.690  0.00  0.00    -0.493 OA
ATOM     27  H   LIG    1        5.181  -4.186   0.261  0.00  0.00    +0.294 HD
ENDBRANCH  20  26
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 9