REMARK  Name = BDB018843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.161  -0.845   0.341  0.00  0.00    +0.167 A 
ATOM      2  S   LIG    1       -0.129  -1.544  -1.195  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1        1.418  -1.041  -1.724  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        2.070  -0.392  -0.696  0.00  0.00    +0.082 A 
ATOM      5  N   LIG    1        1.366  -0.342   0.495  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        3.425   0.130  -0.786  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        3.854   1.022  -1.782  0.00  0.00    +0.050 A 
ATOM      8 CL   LIG    1        2.795   1.654  -2.998  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        5.181   1.471  -1.804  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        6.086   1.044  -0.831  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.667   0.174   0.171  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.346  -0.276   0.196  0.00  0.00    +0.011 A 
ENDBRANCH   4   6
BRANCH   1  14
ATOM     13  C   LIG    1       -0.219  -1.040   2.742  0.00  0.00    +0.140 C 
ATOM     14  N   LIG    1       -0.751  -0.967   1.385  0.00  0.00    -0.252 N 
ATOM     15  C   LIG    1       -2.121  -1.183   1.237  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1       -2.742  -1.826   2.094  0.00  0.00    -0.273 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.876  -0.496   0.073  0.00  0.00    +0.170 C 
ATOM     18  N   LIG    1       -4.375  -0.539   0.267  0.00  0.00    -0.258 N 
ATOM     19  C   LIG    1       -4.930   0.826   0.102  0.00  0.00    +0.117 C 
ATOM     20  C   LIG    1       -3.828   1.602  -0.595  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -2.568   1.005  -0.003  0.00  0.00    +0.034 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -5.104  -1.660   0.190  0.00  0.00    +0.170 C 
ATOM     23  N   LIG    1       -5.746  -2.616   0.073  0.00  0.00    -0.174 NA
ENDBRANCH  18  22
ENDBRANCH  15  17
ENDBRANCH   1  14
TORSDOF 4