REMARK  Name = BDB052593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.403  -1.636   1.417  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1       -0.231  -1.025   1.206  0.00  0.00    -0.215 NA
ATOM      3  C   LIG    1        0.089  -0.719  -0.070  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1       -0.753  -0.993  -1.129  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -1.940  -1.622  -0.814  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1       -2.280  -1.937   0.454  0.00  0.00    -0.215 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -0.319  -1.791   3.943  0.00  0.00    +0.093 C 
ATOM      8  S   LIG    1       -1.889  -2.031   3.075  0.00  0.00    -0.089 S 
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  C   LIG    1       -0.379  -0.689  -2.505  0.00  0.00    +0.342 C 
ATOM     10  O   LIG    1        0.349  -1.418  -3.154  0.00  0.00    -0.245 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -0.898   0.470  -2.958  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -1.495   0.956  -2.352  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   4   9
BRANCH   3  13
ATOM     13  S   LIG    1        1.627   0.169  -0.276  0.00  0.00    -0.100 S 
BRANCH  13  14
ATOM     14  C   LIG    1        2.635  -0.651   0.999  0.00  0.00    +0.111 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.071  -0.193   0.944  0.00  0.00    -0.037 A 
ATOM     16  C   LIG    1        4.506   0.888   1.725  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.833   1.316   1.666  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.737   0.674   0.821  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.314  -0.394   0.032  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.988  -0.825   0.090  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   5  21
ATOM     21  S   LIG    1       -3.167  -2.054  -2.037  0.00  0.00    -0.100 S 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.546  -1.017  -1.442  0.00  0.00    +0.111 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.217   0.456  -1.508  0.00  0.00    -0.037 A 
ATOM     24  C   LIG    1       -4.223   1.134  -2.737  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.867   2.482  -2.803  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.502   3.166  -1.645  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.501   2.506  -0.418  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.860   1.160  -0.348  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 9