REMARK  Name = BDB001707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.519   0.778  -0.088  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -0.147   0.484   1.203  0.00  0.00    +0.209 C 
ATOM      3  O   LIG    1        0.445   0.642   2.267  0.00  0.00    -0.286 OA
ATOM      4  C   LIG    1       -1.540  -0.043   1.140  0.00  0.00    +0.113 C 
ATOM      5 CL   LIG    1       -1.986  -0.947   2.555  0.00  0.00    -0.078 Cl
ATOM      6  C   LIG    1       -2.348   0.141   0.073  0.00  0.00    +0.101 C 
ATOM      7  C   LIG    1       -1.730   0.973  -1.046  0.00  0.00    +0.220 C 
ATOM      8  O   LIG    1       -2.421   1.598  -1.848  0.00  0.00    -0.284 OA
ATOM      9  C   LIG    1       -0.249   1.006  -1.158  0.00  0.00    +0.101 C 
ATOM     10 CL   LIG    1        0.380   1.390  -2.728  0.00  0.00    -0.079 Cl
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        4.355   0.356  -0.136  0.00  0.00    +0.161 A 
ATOM     12  S   LIG    1        2.896  -0.572   0.017  0.00  0.00    -0.052 S 
ATOM     13  C   LIG    1        1.940   0.847  -0.136  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        2.785   1.927  -0.295  0.00  0.00    +0.129 A 
ATOM     15  N   LIG    1        4.134   1.643  -0.308  0.00  0.00    -0.233 NA
BRANCH  11  17
ATOM     16  C   LIG    1        6.722   0.750  -0.094  0.00  0.00    +0.131 C 
ATOM     17  N   LIG    1        5.609  -0.195  -0.114  0.00  0.00    -0.316 N 
ATOM     18  C   LIG    1        5.835  -1.444   0.602  0.00  0.00    +0.131 C 
ENDBRANCH  11  17
ENDBRANCH   1  13
BRANCH   6  19
ATOM     19  N   LIG    1       -3.675  -0.309  -0.121  0.00  0.00    -0.326 N 
ATOM     20  C   LIG    1       -4.394  -0.244  -1.408  0.00  0.00    +0.105 C 
ATOM     21  C   LIG    1       -5.618  -1.129  -1.209  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -5.956  -0.882   0.246  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -4.581  -0.844   0.906  0.00  0.00    +0.105 C 
ENDBRANCH   6  19
TORSDOF 3