REMARK  Name = BDB057314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.044  -0.306   1.279  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.650  -1.554   1.440  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.018  -1.720   1.197  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.801  -0.635   0.778  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        3.182   0.607   0.585  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.812   0.769   0.829  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.294  -0.268   1.568  0.00  0.00    -0.489 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.851   1.019   1.881  0.00  0.00    +0.266 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.520   1.651   0.652  0.00  0.00    +0.200 C 
BRANCH   9  13
ATOM     10  C   LIG    1       -5.576   0.348   0.235  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -5.210   1.602   0.712  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1       -3.933   2.027   0.841  0.00  0.00    -0.257 NA
ATOM     13  C   LIG    1       -2.948   1.158   0.480  0.00  0.00    +0.073 A 
ATOM     14  C   LIG    1       -3.217  -0.118  -0.008  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -4.544  -0.522  -0.126  0.00  0.00    +0.007 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -7.473  -0.407  -1.267  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -7.027  -0.049   0.149  0.00  0.00    +0.033 C 
ENDBRANCH  10  17
ENDBRANCH   9  13
BRANCH   9  18
ATOM     18  O   LIG    1       -1.527   3.081   0.822  0.00  0.00    -0.382 OA
ATOM     19  H   LIG    1       -2.480   3.318   0.887  0.00  0.00    +0.210 HD
ENDBRANCH   9  18
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        5.286  -0.808   0.535  0.00  0.00    +0.059 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.595  -1.346  -0.862  0.00  0.00    +0.146 C 
ATOM     22  C   LIG    1        5.783  -0.246  -1.891  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1        5.061   0.730  -2.037  0.00  0.00    -0.274 OA
ATOM     24  N   LIG    1        6.877  -0.468  -2.675  0.00  0.00    -0.246 N 
ATOM     25  H   LIG    1        7.135   0.194  -3.390  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1        7.785  -1.379  -2.262  0.00  0.00    +0.279 C 
ATOM     27  O   LIG    1        8.885  -1.553  -2.753  0.00  0.00    -0.263 OA
ATOM     28  S   LIG    1        7.188  -2.250  -0.877  0.00  0.00    -0.054 S 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8