REMARK  Name = BDB057338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.851   0.012   1.536  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -0.618   0.656   1.530  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        0.523   0.047   0.947  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.375  -1.248   0.425  0.00  0.00    +0.025 A 
ATOM      5  S   LIG    1        1.891  -1.827  -0.171  0.00  0.00    -0.072 S 
ATOM      6  C   LIG    1        2.678  -0.371   0.159  0.00  0.00    +0.086 A 
ATOM      7  C   LIG    1       -0.872  -1.939   0.434  0.00  0.00    -0.029 A 
ATOM      8  C   LIG    1        1.890   0.539   0.826  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1       -1.973  -1.262   1.002  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1        3.984  -0.350  -0.284  0.00  0.00    -0.263 N 
ATOM     11  H   LIG    1        4.335  -1.206  -0.690  0.00  0.00    +0.157 HD
ATOM     12  C   LIG    1        4.559   0.806  -0.771  0.00  0.00    +0.304 C 
ATOM     13  N   LIG    1        5.908   0.613  -1.000  0.00  0.00    -0.302 N 
ATOM     14  H   LIG    1        6.339  -0.000  -0.322  0.00  0.00    +0.150 HD
ATOM     15  C   LIG    1        6.708   1.731  -1.434  0.00  0.00    +0.129 C 
ATOM     16  O   LIG    1        3.974   1.852  -1.023  0.00  0.00    -0.253 OA
ENDBRANCH   6  10
BRANCH   8  17
ATOM     17  C   LIG    1        2.405   1.786   1.381  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        3.439   1.856   2.037  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1        1.653   2.898   1.130  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        2.110   3.776   1.333  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        0.993   2.894   0.364  0.00  0.00    +0.145 HD
ENDBRANCH   8  17
BRANCH   7  22
ATOM     22  C   LIG    1       -1.061  -3.344  -0.130  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -2.050  -3.353  -1.298  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -1.483  -4.336   0.958  0.00  0.00    +0.012 C 
ENDBRANCH   7  22
BRANCH   1  25
ATOM     25  N   LIG    1       -3.005   0.662   2.055  0.00  0.00    -0.221 N 
ATOM     26  H   LIG    1       -3.744   0.077   2.444  0.00  0.00    +0.173 HD
BRANCH  25  27
ATOM     27  S   LIG    1       -3.608   2.025   1.263  0.00  0.00    +0.043 S 
ATOM     28  O   LIG    1       -4.821   2.376   1.970  0.00  0.00    -0.155 OA
ATOM     29  O   LIG    1       -2.543   2.984   1.068  0.00  0.00    -0.155 OA
BRANCH  27  31
ATOM     30  C   LIG    1       -4.769   2.406  -1.185  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1       -4.080   1.357  -0.333  0.00  0.00    +0.185 C 
ENDBRANCH  27  31
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 6