REMARK  Name = BDB057333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.542   0.281   0.891  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -1.369   1.015   0.877  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1       -0.620   0.792  -0.351  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.202  -0.204  -1.148  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.607  -0.661  -2.360  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1        0.607  -0.052  -2.744  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        1.172   0.973  -2.006  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        0.567   1.407  -0.830  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -2.683  -0.736  -0.445  0.00  0.00    -0.072 S 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -6.636  -0.765   3.351  0.00  0.00    +0.129 C 
ATOM     11  N   LIG    1       -5.420  -0.052   3.047  0.00  0.00    -0.302 N 
ATOM     12  H   LIG    1       -5.453   0.953   3.147  0.00  0.00    +0.150 HD
ATOM     13  C   LIG    1       -4.599  -0.509   2.030  0.00  0.00    +0.304 C 
ATOM     14  N   LIG    1       -3.532   0.345   1.861  0.00  0.00    -0.263 N 
ATOM     15  H   LIG    1       -3.373   1.018   2.604  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1       -4.830  -1.547   1.424  0.00  0.00    -0.253 OA
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  C   LIG    1       -1.012   1.887   1.993  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -1.843   2.397   2.741  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1        0.323   2.037   2.245  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        0.980   1.345   1.906  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        0.547   2.475   3.128  0.00  0.00    +0.145 HD
ENDBRANCH   2  17
BRANCH   5  22
ATOM     22  C   LIG    1       -1.196  -1.773  -3.223  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -1.484  -1.300  -4.651  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -0.292  -3.009  -3.224  0.00  0.00    +0.012 C 
ENDBRANCH   5  22
BRANCH   7  25
ATOM     25  N   LIG    1        2.437   1.509  -2.374  0.00  0.00    -0.216 N 
ATOM     26  H   LIG    1        2.607   2.497  -2.196  0.00  0.00    +0.174 HD
BRANCH  25  27
ATOM     27  S   LIG    1        3.817   0.574  -2.064  0.00  0.00    +0.072 S 
ATOM     28  O   LIG    1        4.947   1.467  -2.213  0.00  0.00    -0.150 OA
ATOM     29  O   LIG    1        3.732  -0.666  -2.803  0.00  0.00    -0.150 OA
BRANCH  27  30
ATOM     30  C   LIG    1        3.659   0.198  -0.329  0.00  0.00    +0.109 A 
ATOM     31  C   LIG    1        4.126   1.113   0.621  0.00  0.00    +0.032 A 
ATOM     32  C   LIG    1        3.990   0.832   1.986  0.00  0.00    -0.049 A 
ATOM     33  C   LIG    1        4.498   1.810   3.006  0.00  0.00    +0.044 C 
ATOM     34  C   LIG    1        3.391  -0.372   2.380  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        2.940  -1.289   1.426  0.00  0.00    +0.002 A 
ATOM     36  C   LIG    1        3.080  -1.011   0.068  0.00  0.00    +0.029 A 
ENDBRANCH  27  30
ENDBRANCH  25  27
ENDBRANCH   7  25
TORSDOF 6