REMARK  Name = BDB020924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.965  -1.996  -0.520  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.365  -0.960  -0.814  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.872  -0.648  -0.279  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.524  -1.612   0.617  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -3.058  -1.538   0.530  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -3.541  -0.187   0.865  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1       -2.649   0.941   0.531  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1       -1.633   0.575  -0.570  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.905   0.059   1.038  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -5.420   1.078   1.878  0.00  0.00    +0.062 A 
ATOM     11 CL   LIG    1       -4.409   2.067   2.885  0.00  0.00    -0.082 Cl
ATOM     12  C   LIG    1       -6.801   1.301   2.003  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -7.709   0.510   1.307  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -7.238  -0.510   0.494  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.861  -0.731   0.368  0.00  0.00    +0.024 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        0.975   0.049  -1.776  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.240  -0.481  -2.447  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.446  -0.308  -1.554  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        3.565  -1.192  -0.516  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.833  -1.880  -0.348  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        4.584  -1.148   0.401  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        4.655  -1.918   1.351  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.591  -0.098   0.172  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        5.396   0.757  -0.916  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        6.336   1.763  -1.150  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.446   1.910  -0.312  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.626   1.048   0.771  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.697   0.039   1.018  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        4.292   0.644  -1.780  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4