REMARK  Name = BDB058427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.423  -0.520  -0.296  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.747  -0.461   0.931  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.648  -0.363   0.978  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.386  -0.319  -0.204  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.716  -0.369  -1.429  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.677  -0.466  -1.479  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.931  -0.611  -0.334  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1       -3.496   0.674   0.064  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1       -2.958   1.454  -0.307  0.00  0.00    +0.146 HD
BRANCH   8  12
ATOM     10  C   LIG    1       -7.190   0.139  -0.058  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -5.817  -0.145  -0.036  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.873   0.886  -0.040  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -5.349   2.207  -0.007  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -6.717   2.496  -0.050  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -7.644   1.460  -0.087  0.00  0.00    +0.015 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -7.967  -2.001  -0.739  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -8.138  -0.996  -0.071  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -9.182  -0.817   0.765  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -9.093  -0.049   1.360  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  O   LIG    1        2.746  -0.224  -0.304  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.486  -0.191   0.913  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.952  -0.105   0.565  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1        5.581   1.140   0.437  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        6.934   1.219   0.097  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        7.684   0.054  -0.124  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        7.045  -1.191  -0.018  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.693  -1.269   0.322  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  C   LIG    1        9.138   0.140  -0.515  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        9.310   0.216  -1.863  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        9.867  -0.936  -0.105  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        9.768   1.231   0.005  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9