REMARK  Name = BDB034454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.773  -1.888   0.301  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.858  -0.939   0.534  0.00  0.00    -0.343 N 
ATOM      3  H   LIG    1       -1.803  -0.116  -0.061  0.00  0.00    +0.146 HD
BRANCH   2   4
ATOM      4  C   LIG    1       -3.193  -1.386   0.624  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -4.258  -0.440   0.707  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -5.579  -0.936   0.814  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -6.640  -0.043   0.874  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -6.456   1.348   0.841  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -5.155   1.845   0.767  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -5.867  -2.242   0.873  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1       -4.841  -3.111   0.853  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1       -4.074   0.965   0.700  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -3.514  -2.740   0.745  0.00  0.00    +0.043 A 
BRANCH   8  14
ATOM     14  C   LIG    1       -7.641   2.273   0.936  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       -7.403   3.502   0.397  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -8.744   1.797   0.295  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -8.022   2.498   2.223  0.00  0.00    -0.166 F 
ENDBRANCH   8  14
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.576  -1.164   0.237  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.783  -0.435  -1.095  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.042   0.305  -1.162  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1        2.186   0.841  -0.307  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.202  -0.551  -1.398  0.00  0.00    +0.116 C 
BRANCH  22  25
ATOM     23  C   LIG    1        6.521   1.083  -0.439  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1        5.360   0.309  -0.381  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        4.465   0.277  -1.465  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.742   1.047  -2.603  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.898   1.820  -2.666  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.783   1.835  -1.589  0.00  0.00    +0.046 A 
BRANCH  23  29
ATOM     29  O   LIG    1        7.471   1.200   0.536  0.00  0.00    -0.406 OA
BRANCH  29  31
ATOM     30  F   LIG    1        6.142   0.855   2.362  0.00  0.00    -0.133 F 
ATOM     31  C   LIG    1        7.277   0.474   1.737  0.00  0.00    +0.575 C 
ATOM     32  F   LIG    1        7.237  -0.856   1.504  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1        8.315   0.723   2.566  0.00  0.00    -0.133 F 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10