REMARK  Name = BDB057313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.684   0.748  -0.452  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.072  -0.404  -1.140  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.014  -1.280  -0.597  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.589  -1.013   0.649  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        2.202   0.145   1.336  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.257   1.020   0.789  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.247   1.506  -1.103  0.00  0.00    -0.489 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.820   2.626  -0.423  0.00  0.00    +0.265 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.931   2.214   0.559  0.00  0.00    +0.182 C 
BRANCH   9  12
ATOM     10  C   LIG    1       -4.540  -0.225  -0.811  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -3.413   0.297  -0.168  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -3.166   1.678  -0.139  0.00  0.00    -0.012 A 
ATOM     13  C   LIG    1       -4.070   2.536  -0.782  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -5.196   2.022  -1.424  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -5.433   0.645  -1.437  0.00  0.00    +0.045 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.755  -2.172  -1.431  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -4.651  -1.587  -0.753  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   9  12
BRANCH   9  18
ATOM     18  O   LIG    1       -2.290   3.340   1.371  0.00  0.00    -0.384 OA
ATOM     19  H   LIG    1       -3.153   3.131   1.769  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        3.619  -1.945   1.242  0.00  0.00    +0.059 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.057  -1.453   1.064  0.00  0.00    +0.146 C 
ATOM     22  C   LIG    1        6.010  -2.285   1.898  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1        5.857  -2.548   3.084  0.00  0.00    -0.274 OA
ATOM     24  N   LIG    1        7.083  -2.713   1.179  0.00  0.00    -0.246 N 
ATOM     25  H   LIG    1        7.781  -3.305   1.601  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1        7.064  -2.557  -0.164  0.00  0.00    +0.279 C 
ATOM     27  O   LIG    1        7.877  -3.025  -0.942  0.00  0.00    -0.263 OA
ATOM     28  S   LIG    1        5.676  -1.621  -0.649  0.00  0.00    -0.054 S 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8