REMARK  Name = BDB064228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.285   0.325  -0.842  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.484   1.646  -1.231  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.251   2.194  -2.209  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.446   2.425  -0.599  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.236   1.871   0.412  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.085   0.524   0.785  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.090  -0.241   0.155  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.914   0.105  -1.221  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        4.467  -0.868  -2.113  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1        5.249  -1.567  -2.762  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        2.947  -0.987  -2.329  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1        2.054  -0.227  -1.454  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1        0.699  -0.534  -1.520  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1        0.261  -1.533  -2.087  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.626   0.957  -0.820  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.993   0.638  -0.225  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        6.350   0.177  -0.934  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.810  -0.840   0.121  0.00  0.00    +0.178 C 
BRANCH  18  20
ATOM     19  C   LIG    1        7.242   0.431   2.087  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1        6.366  -0.480   1.437  0.00  0.00    -0.381 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  C   LIG    1       -2.949  -0.094   1.868  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.385   0.097   1.659  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -5.108  -0.691   0.710  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -6.478  -0.464   0.526  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -7.228  -1.206  -0.398  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.610  -2.194  -1.156  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.251  -2.438  -0.988  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -7.144   0.577   1.321  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -8.336   0.831   1.194  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -6.354   1.247   2.211  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -6.798   1.972   2.754  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -4.506  -1.695  -0.063  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -5.013   1.083   2.406  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -4.433   1.810   3.211  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6