REMARK  Name = BDB058932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.052   0.633  -0.584  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.676   1.728  -0.097  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        2.017   1.588   0.275  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.672   0.353   0.158  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.946  -0.736  -0.342  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.605  -0.598  -0.716  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.078   0.202   0.565  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        5.148   0.843  -0.091  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        6.462   0.731   0.391  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.732  -0.051   1.512  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.693  -0.714   2.159  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.381  -0.586   1.692  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1        4.962   1.672  -1.297  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        5.401   2.794  -1.463  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.315   1.005  -2.267  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        4.278   1.637  -3.014  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.491   0.819  -1.005  0.00  0.00    +0.158 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.905  -0.295   0.779  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -2.379  -0.217  -0.495  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1       -2.889  -1.267  -1.234  0.00  0.00    +0.071 A 
ATOM     21  C   LIG    1       -3.704  -1.959  -0.338  0.00  0.00    +0.108 A 
ATOM     22  C   LIG    1       -4.372  -3.106  -0.801  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -4.223  -3.538  -2.118  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -3.400  -2.825  -2.989  0.00  0.00    +0.004 A 
ATOM     25 CL   LIG    1       -5.364  -3.927   0.321  0.00  0.00    -0.081 Cl
ATOM     26  C   LIG    1       -2.716  -1.677  -2.567  0.00  0.00    +0.028 A 
ATOM     27  N   LIG    1       -3.694  -1.344   0.892  0.00  0.00    -0.231 NA
BRANCH  18  28
ATOM     28  C   LIG    1       -2.619   0.669   1.886  0.00  0.00    +0.074 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -5.008   1.476   2.269  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -3.581   1.859   1.900  0.00  0.00    +0.004 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7