REMARK  Name = BDB045718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.376   0.047  -0.283  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.608   1.227  -0.365  0.00  0.00    +0.048 C 
ATOM      3  C   LIG    1       -1.810   0.744   0.476  0.00  0.00    +0.114 C 
ATOM      4  N   LIG    1       -1.733  -0.721   0.428  0.00  0.00    -0.329 N 
ATOM      5  C   LIG    1       -0.560  -1.159  -0.323  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.002   2.545   0.074  0.00  0.00    -0.042 A 
ATOM      7  C   LIG    1        0.240   3.541  -0.886  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.814   4.762  -0.523  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.157   4.996   0.804  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1        1.865   6.498   1.255  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        0.937   4.017   1.770  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.364   2.796   1.406  0.00  0.00    +0.005 A 
ENDBRANCH   2   6
BRANCH   4  13
ATOM     13  C   LIG    1       -2.802  -1.537   0.726  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.824  -2.897   0.375  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -3.905  -3.730   0.688  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -5.001  -3.223   1.374  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.009  -1.885   1.748  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -3.922  -1.061   1.428  0.00  0.00    +0.023 A 
ENDBRANCH   4  13
BRANCH   1  20
ATOM     19  O   LIG    1        1.091   0.533  -2.526  0.00  0.00    -0.292 OA
ATOM     20  C   LIG    1        1.344  -0.008  -1.450  0.00  0.00    +0.168 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.630  -0.764  -1.308  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1        2.956  -1.509  -0.168  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        4.172  -2.196  -0.100  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.068  -2.146  -1.166  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.752  -1.409  -2.305  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.539  -0.722  -2.376  0.00  0.00    +0.011 A 
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4