REMARK  Name = BDB001708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.117  -0.125  -0.495  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.019  -0.938  -0.191  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.272  -0.428  -0.184  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.480   0.934  -0.504  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -2.711   1.472  -0.517  0.00  0.00    -0.240 NA
ATOM      6  C   LIG    1       -3.756   0.647  -0.215  0.00  0.00    +0.136 A 
ATOM      7  C   LIG    1       -3.549  -0.686   0.138  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1       -0.387   1.730  -0.822  0.00  0.00    +0.030 A 
ATOM      9  N   LIG    1       -2.299  -1.234   0.136  0.00  0.00    -0.240 NA
ATOM     10  C   LIG    1        0.911   1.215  -0.825  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -4.571  -1.620   0.588  0.00  0.00    +0.155 A 
ATOM     12  O   LIG    1       -5.571  -1.118   1.373  0.00  0.00    -0.461 OA
ATOM     13  C   LIG    1       -6.383  -2.155   1.702  0.00  0.00    +0.196 A 
ATOM     14  C   LIG    1       -5.911  -3.327   1.163  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -4.733  -2.987   0.456  0.00  0.00    +0.051 A 
ENDBRANCH   7  11
BRANCH   6  16
ATOM     16  C   LIG    1       -5.048   1.302  -0.355  0.00  0.00    +0.155 A 
ATOM     17  O   LIG    1       -6.067   0.560  -0.884  0.00  0.00    -0.461 OA
ATOM     18  C   LIG    1       -7.157   1.366  -0.957  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1       -6.854   2.628  -0.506  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -5.489   2.593  -0.132  0.00  0.00    +0.051 A 
ENDBRANCH   6  16
BRANCH   1  22
ATOM     21  O   LIG    1        2.585  -1.894  -0.865  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        2.475  -0.734  -0.491  0.00  0.00    +0.248 C 
ATOM     23  N   LIG    1        3.482   0.091  -0.022  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1        3.203   0.980   0.372  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.860  -0.204   0.054  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        5.689   0.759   0.645  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1        7.077   0.557   0.756  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1        7.628  -0.637   0.275  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.810  -1.597  -0.317  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.434  -1.380  -0.428  0.00  0.00    +0.023 A 
BRANCH  27  31
ATOM     31  C   LIG    1        7.947   1.596   1.417  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        9.234   1.585   0.971  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.015   1.431   2.766  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.496   2.867   1.219  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH   1  22
TORSDOF 5