REMARK  Name = BDB058539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.078  -3.200  -1.707  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1        0.187  -2.185  -0.687  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1        1.474  -1.517  -0.944  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1        1.790  -0.475   0.152  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1        0.657   0.559   0.262  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -0.694  -0.138   0.463  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1       -0.917  -1.210  -0.634  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.139   0.188  -0.068  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1        3.407   0.969  -1.201  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        4.659   1.570  -1.385  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.667   1.400  -0.438  0.00  0.00    +0.130 A 
ATOM     12  C   LIG    1        5.406   0.623   0.693  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        4.158   0.022   0.879  0.00  0.00    +0.007 A 
BRANCH  11  14
ATOM     14  O   LIG    1        6.926   1.923  -0.486  0.00  0.00    -0.406 OA
BRANCH  14  15
ATOM     15  C   LIG    1        7.267   2.723  -1.605  0.00  0.00    +0.575 C 
ATOM     16  F   LIG    1        8.545   3.140  -1.466  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        6.476   3.815  -1.684  0.00  0.00    -0.133 F 
ATOM     18  F   LIG    1        7.179   2.018  -2.754  0.00  0.00    -0.133 F 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   6  19
ATOM     19  N   LIG    1       -1.752   0.887   0.439  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -1.789   1.286  -0.500  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.045   0.531   0.751  0.00  0.00    +0.199 A 
ATOM     22  N   LIG    1       -3.400   0.264   2.079  0.00  0.00    -0.282 N 
ATOM     23  C   LIG    1       -2.474   0.471   3.176  0.00  0.00    +0.155 C 
ATOM     24  C   LIG    1       -4.683  -0.168   2.425  0.00  0.00    +0.279 A 
ATOM     25  O   LIG    1       -5.042  -0.462   3.562  0.00  0.00    -0.265 OA
ATOM     26  C   LIG    1       -5.550  -0.232   1.299  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1       -5.154   0.087   0.037  0.00  0.00    +0.097 A 
ATOM     28  C   LIG    1       -6.238  -0.070  -0.838  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -7.301  -0.493  -0.060  0.00  0.00    +0.085 A 
ATOM     30  N   LIG    1       -6.868  -0.589   1.244  0.00  0.00    -0.355 N 
ATOM     31  H   LIG    1       -7.425  -0.873   2.042  0.00  0.00    +0.166 HD
ATOM     32  N   LIG    1       -3.861   0.484  -0.275  0.00  0.00    -0.214 NA
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5