REMARK  Name = BDB018842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.367   0.319  -0.247  0.00  0.00    +0.167 A 
ATOM      2  S   LIG    1        0.448   1.388  -1.582  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1        2.157   1.311  -1.558  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        2.574   0.450  -0.566  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1        1.540  -0.116   0.168  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        3.968   0.136  -0.263  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        4.997   0.334  -1.194  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        6.316   0.017  -0.862  0.00  0.00    +0.042 A 
ATOM      9 CL   LIG    1        7.568   0.266  -2.017  0.00  0.00    -0.084 Cl
ATOM     10  C   LIG    1        6.630  -0.500   0.393  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        5.616  -0.707   1.324  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.295  -0.393   0.996  0.00  0.00    +0.010 A 
ENDBRANCH   4   6
BRANCH   1  14
ATOM     13  C   LIG    1       -0.762  -1.208   1.298  0.00  0.00    +0.140 C 
ATOM     14  N   LIG    1       -0.842  -0.134   0.304  0.00  0.00    -0.252 N 
ATOM     15  C   LIG    1       -2.053   0.544   0.068  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1       -2.168   1.591  -0.574  0.00  0.00    -0.273 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.333  -0.115   0.639  0.00  0.00    +0.170 C 
ATOM     18  N   LIG    1       -4.490   0.828   0.743  0.00  0.00    -0.258 N 
ATOM     19  C   LIG    1       -5.407   0.603  -0.405  0.00  0.00    +0.117 C 
ATOM     20  C   LIG    1       -4.717  -0.434  -1.279  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -3.844  -1.205  -0.304  0.00  0.00    +0.034 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.507   1.915   1.522  0.00  0.00    +0.170 C 
ATOM     23  N   LIG    1       -4.527   2.833   2.228  0.00  0.00    -0.174 NA
ENDBRANCH  18  22
ENDBRANCH  15  17
ENDBRANCH   1  14
TORSDOF 4