REMARK  Name = BDB059179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.814  -0.496  -0.649  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        0.727  -1.275  -0.598  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.368  -0.782   0.027  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.402   0.489   0.574  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        0.761   1.226   0.437  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        1.875   0.744  -0.155  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.498  -1.725   0.053  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.996  -2.245   1.260  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -3.063  -3.152   1.269  0.00  0.00    +0.060 A 
ATOM     10 CL   LIG    1       -3.602  -3.739   2.802  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -3.648  -3.557   0.065  0.00  0.00    +0.059 A 
ATOM     12 CL   LIG    1       -4.964  -4.673  -0.001  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1       -3.157  -3.056  -1.142  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -2.090  -2.153  -1.147  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  15
ATOM     15  C   LIG    1       -1.563   1.004   1.222  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1       -2.500   1.404   1.778  0.00  0.00    -0.191 NA
ENDBRANCH   4  15
BRANCH   1  17
ATOM     17  S   LIG    1        3.264  -1.109  -1.457  0.00  0.00    -0.073 S 
BRANCH  17  18
ATOM     18  C   LIG    1        3.212  -2.836  -0.899  0.00  0.00    +0.165 C 
BRANCH  18  20
ATOM     19  C   LIG    1        3.665  -3.092   1.720  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        3.462  -2.974   0.542  0.00  0.00    -0.094 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   5  21
ATOM     21  S   LIG    1        0.931   2.902   1.040  0.00  0.00    -0.027 S 
BRANCH  21  22
ATOM     22  C   LIG    1        0.301   3.711  -0.350  0.00  0.00    +0.215 A 
ATOM     23  N   LIG    1        0.585   5.005  -0.671  0.00  0.00    -0.223 N 
ATOM     24  C   LIG    1        1.430   5.956  -0.006  0.00  0.00    +0.177 C 
ATOM     25  N   LIG    1       -0.069   5.338  -1.798  0.00  0.00    -0.043 NA
ATOM     26  N   LIG    1       -0.743   4.249  -2.144  0.00  0.00    -0.022 NA
ATOM     27  N   LIG    1       -0.525   3.227  -1.250  0.00  0.00    -0.101 NA
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7