REMARK  Name = BDB058930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.341  -1.156  -0.679  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.840  -0.302   1.182  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1       -2.192  -0.168  -0.029  0.00  0.00    -0.323 N 
ATOM      4  C   LIG    1       -2.527   1.062  -0.558  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -3.369   1.631   0.393  0.00  0.00    +0.101 A 
ATOM      6  C   LIG    1       -3.908   2.912   0.186  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -3.558   3.574  -1.012  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -2.712   2.986  -1.954  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.177   1.714  -1.746  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -3.543   0.779   1.452  0.00  0.00    -0.232 NA
BRANCH   6  11
ATOM     11  C   LIG    1       -4.815   3.550   1.194  0.00  0.00    +0.419 C 
ATOM     12  F   LIG    1       -5.960   2.847   1.416  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -4.231   3.734   2.411  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -5.233   4.796   0.811  0.00  0.00    -0.166 F 
ENDBRANCH   6  11
BRANCH   2  15
ATOM     15  C   LIG    1       -2.756  -1.499   2.073  0.00  0.00    +0.074 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -3.736  -3.754   2.620  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -3.815  -2.539   1.710  0.00  0.00    +0.004 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1        0.122  -0.775  -0.665  0.00  0.00    -0.028 A 
ATOM     19  C   LIG    1        0.887  -0.928  -1.830  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        2.248  -0.609  -1.839  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        2.890  -0.144  -0.683  0.00  0.00    -0.017 A 
ATOM     22  C   LIG    1        2.123   0.001   0.483  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        0.761  -0.318   0.495  0.00  0.00    +0.006 A 
BRANCH  21  24
ATOM     24  C   LIG    1        4.326   0.184  -0.687  0.00  0.00    -0.004 A 
ATOM     25  C   LIG    1        5.334  -0.745  -1.024  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1        6.684  -0.363  -1.068  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        7.054   0.941  -0.749  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.079   1.867  -0.395  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.732   1.494  -0.368  0.00  0.00    +0.009 A 
BRANCH  25  30
ATOM     30  C   LIG    1        5.047  -2.159  -1.358  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        5.452  -2.692  -2.376  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        4.371  -2.809  -0.388  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        4.124  -2.250   0.373  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8