REMARK  Name = BDB005964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.266  -1.060   1.006  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -4.160   0.277   0.600  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1       -2.932   0.810   0.208  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -1.785   0.004   0.166  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1       -0.462   0.573  -0.302  0.00  0.00    +0.137 C 
ATOM      6  N   LIG    1        0.709  -0.168   0.192  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1        0.662  -1.524   0.476  0.00  0.00    +0.221 C 
ATOM      8  C   LIG    1       -0.681  -2.227   0.451  0.00  0.00    +0.131 C 
ATOM      9  O   LIG    1        1.672  -2.187   0.728  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -1.887  -1.337   0.539  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -3.125  -1.865   0.952  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -0.414   0.784  -1.814  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1       -0.437   2.090  -2.335  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -0.397   2.311  -3.715  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.335   1.228  -4.587  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.285   1.499  -6.285  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.314  -0.073  -4.092  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.355  -0.294  -2.713  0.00  0.00    +0.007 A 
ENDBRANCH   5  12
BRANCH   6  19
ATOM     19  C   LIG    1        1.997   0.557   0.213  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        3.008   0.052  -0.833  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1        4.263  -0.560  -0.214  0.00  0.00    +0.008 C 
ATOM     22  C   LIG    1        4.995   0.396   0.755  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1        3.994   1.235   1.590  0.00  0.00    +0.008 C 
ATOM     24  C   LIG    1        2.589   0.641   1.627  0.00  0.00    +0.023 C 
BRANCH  22  25
ATOM     25  C   LIG    1        6.056  -0.338   1.641  0.00  0.00    +0.063 C 
ATOM     26  C   LIG    1        6.994   0.668   2.327  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        6.918  -1.326   0.844  0.00  0.00    +0.041 C 
BRANCH  25  28
ATOM     28  O   LIG    1        5.401  -1.069   2.682  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1        4.790  -1.706   2.272  0.00  0.00    +0.210 HD
ENDBRANCH  25  28
ENDBRANCH  22  25
ENDBRANCH   6  19
BRANCH   1  31
ATOM     30  C   LIG    1       -5.586  -2.762   2.028  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -5.502  -1.480   1.421  0.00  0.00    -0.491 OA
ENDBRANCH   1  31
BRANCH   2  32
ATOM     32  O   LIG    1       -5.218   1.150   0.637  0.00  0.00    -0.486 OA
BRANCH  32  33
ATOM     33  C   LIG    1       -6.209   0.858  -0.363  0.00  0.00    +0.167 C 
ATOM     34  C   LIG    1       -6.053   1.863  -1.502  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -7.579   1.002   0.291  0.00  0.00    +0.051 C 
ENDBRANCH  32  33
ENDBRANCH   2  32
TORSDOF 7