REMARK  Name = BDB057968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.779  -0.338   0.637  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.727  -0.308  -0.389  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -2.529  -1.434  -0.640  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -2.341  -2.584   0.147  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.405  -2.599   1.186  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.627  -1.472   1.440  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        5.553   0.835   0.931  0.00  0.00    +0.136 A 
ATOM      8  N   LIG    1        4.208   0.657   0.768  0.00  0.00    -0.312 N 
ATOM      9  C   LIG    1        3.485  -0.522   0.356  0.00  0.00    +0.147 C 
ATOM     10  C   LIG    1        2.076  -0.175  -0.150  0.00  0.00    +0.093 C 
ATOM     11  N   LIG    1        1.415   0.798   0.749  0.00  0.00    -0.286 N 
ATOM     12  C   LIG    1        2.135   2.047   1.039  0.00  0.00    +0.184 C 
ATOM     13  C   LIG    1        0.028   0.868   0.904  0.00  0.00    +0.247 C 
ATOM     14  O   LIG    1       -0.569   1.876   1.270  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.095   0.333  -1.598  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1        3.605   1.837   1.104  0.00  0.00    +0.151 A 
ATOM     17  N   LIG    1        4.536   2.704   1.433  0.00  0.00    -0.133 NA
ATOM     18  N   LIG    1        5.756   2.079   1.321  0.00  0.00    -0.134 NA
BRANCH   7  20
ATOM     19  C   LIG    1        7.708  -0.127   1.740  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        6.598  -0.210   0.691  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        7.178  -0.066  -0.716  0.00  0.00    +0.015 C 
ENDBRANCH   7  20
ENDBRANCH   1  13
BRANCH   3  22
ATOM     22  C   LIG    1       -3.549  -1.429  -1.776  0.00  0.00    +0.318 C 
ATOM     23  F   LIG    1       -4.284  -2.588  -1.804  0.00  0.00    -0.193 F 
ATOM     24  F   LIG    1       -2.888  -1.440  -2.979  0.00  0.00    -0.193 F 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.490  -0.205  -1.686  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1       -5.606  -0.201  -0.698  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -6.404   0.943  -0.645  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -7.469   1.035   0.260  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -7.741  -0.025   1.121  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.952  -1.172   1.075  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.122   2.066  -1.553  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -6.808   3.082  -1.550  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -5.054   1.902  -2.398  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -4.844   2.669  -3.031  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -5.889  -1.263   0.170  0.00  0.00    +0.011 A 
ATOM     36  N   LIG    1       -4.251   0.809  -2.473  0.00  0.00    -0.169 NA
ENDBRANCH  22  25
ENDBRANCH   3  22
TORSDOF 4