REMARK  Name = BDB059532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.505   2.096  -1.705  0.00  0.00    +0.192 A 
ATOM      2  N   LIG    1       -0.469   1.346  -1.308  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1        0.543   1.147  -2.167  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        0.523   1.694  -3.429  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -0.584   2.445  -3.730  0.00  0.00    +0.135 A 
ATOM      6 CL   LIG    1       -0.740   3.185  -5.271  0.00  0.00    -0.062 Cl
ATOM      7  N   LIG    1       -1.612   2.666  -2.905  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        1.667   0.372  -1.792  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1        1.845  -0.339  -2.489  0.00  0.00    +0.154 HD
BRANCH   8  10
ATOM     10  C   LIG    1        2.028  -0.029  -0.480  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        2.605  -1.301  -0.227  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1        2.813  -2.269  -1.367  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1        2.973  -1.652   1.097  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        3.585  -2.986   1.436  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        2.774  -0.734   2.140  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        2.227   0.517   1.889  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        1.865   0.865   0.591  0.00  0.00    +0.023 A 
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  S   LIG    1       -2.841   2.365  -0.570  0.00  0.00    -0.071 S 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.888   0.723   0.249  0.00  0.00    +0.162 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -5.434   0.443   0.224  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.172   0.541   1.071  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
BRANCH  19  22
ATOM     22  C   LIG    1       -1.695   0.558   1.176  0.00  0.00    +0.318 C 
ATOM     23  O   LIG    1       -1.223   1.387   1.938  0.00  0.00    -0.250 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -1.185  -0.694   1.125  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -0.349  -0.628   1.637  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7