REMARK  Name = BDB059538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.110   0.102   0.007  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        1.060   1.043   0.130  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1        2.304   0.733  -0.269  0.00  0.00    +0.191 A 
ATOM      4  N   LIG    1        2.669  -0.450  -0.766  0.00  0.00    -0.210 NA
ATOM      5  C   LIG    1        1.691  -1.360  -0.847  0.00  0.00    +0.135 A 
ATOM      6 CL   LIG    1        2.195  -2.878  -1.467  0.00  0.00    -0.062 Cl
ATOM      7  C   LIG    1        0.391  -1.153  -0.474  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -1.171   0.449   0.457  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1       -1.141   1.422   0.758  0.00  0.00    +0.154 HD
BRANCH   8  14
ATOM     10  C   LIG    1       -6.125  -0.003   0.952  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.862  -0.052   0.135  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1       -3.588   0.173   0.712  0.00  0.00    -0.026 A 
ATOM     13  C   LIG    1       -3.466   0.498   2.182  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -2.432   0.135  -0.105  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1       -2.571  -0.138  -1.474  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -3.822  -0.392  -2.031  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.958  -0.351  -1.232  0.00  0.00    +0.004 A 
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  S   LIG    1        3.518   2.020  -0.104  0.00  0.00    -0.085 S 
BRANCH  18  19
ATOM     19  C   LIG    1        5.037   1.161  -0.642  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.599   0.266   0.456  0.00  0.00    +0.131 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.855  -0.407  -0.017  0.00  0.00    +0.305 C 
ATOM     22  O   LIG    1        7.441  -0.229  -1.071  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1        7.333  -1.279   0.893  0.00  0.00    -0.481 OA
ATOM     24  H   LIG    1        8.139  -1.647   0.474  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7