REMARK  Name = BDB054963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.221   0.278   0.730  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -3.239   0.633   1.663  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -1.888   0.547   1.291  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -1.502   0.119   0.020  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1       -0.136   0.086  -0.206  0.00  0.00    -0.233 NA
ATOM      6  C   LIG    1        0.499   0.479   0.872  0.00  0.00    +0.136 A 
ATOM      7  C   LIG    1       -2.502  -0.233  -0.906  0.00  0.00    +0.032 A 
ATOM      8  S   LIG    1       -0.478   0.909   2.209  0.00  0.00    -0.061 S 
ATOM      9  C   LIG    1       -3.854  -0.151  -0.543  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1       -5.503   0.399   1.196  0.00  0.00    -0.492 OA
BRANCH  10  12
ATOM     11  C   LIG    1       -7.875   0.262   1.031  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1       -6.560   0.053   0.302  0.00  0.00    +0.225 C 
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   6  13
ATOM     13  S   LIG    1        2.247   0.557   0.941  0.00  0.00    -0.086 S 
BRANCH  13  14
ATOM     14  C   LIG    1        2.696   0.121  -0.781  0.00  0.00    +0.137 C 
ATOM     15  C   LIG    1        2.517   1.309  -1.720  0.00  0.00    +0.029 C 
BRANCH  14  16
ATOM     16  C   LIG    1        4.147  -0.348  -0.826  0.00  0.00    +0.245 C 
ATOM     17  N   LIG    1        5.091   0.485  -0.200  0.00  0.00    -0.189 N 
ATOM     18  H   LIG    1        4.791   1.293   0.341  0.00  0.00    +0.176 HD
ATOM     19  O   LIG    1        4.473  -1.389  -1.385  0.00  0.00    -0.273 OA
BRANCH  17  20
ATOM     20  S   LIG    1        6.731   0.362  -0.366  0.00  0.00    +0.042 S 
ATOM     21  O   LIG    1        7.054   0.299  -1.772  0.00  0.00    -0.155 OA
ATOM     22  O   LIG    1        7.268   1.417   0.470  0.00  0.00    -0.155 OA
ATOM     23  C   LIG    1        7.109  -1.194   0.414  0.00  0.00    +0.218 C 
ENDBRANCH  17  20
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   6  13
TORSDOF 6