REMARK  Name = BDB021806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.306  -1.520   0.452  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.478  -0.420  -0.064  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.412   0.390  -0.481  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -2.720   0.146  -0.267  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -2.723   1.156  -0.286  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.978  -0.469  -0.105  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -4.157  -1.853  -0.001  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -5.442  -2.411   0.140  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -6.551  -1.557   0.182  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -6.369  -0.185   0.066  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -7.435   0.624   0.095  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -5.100   0.364  -0.082  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.610  -3.903   0.276  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -5.382  -4.339   1.544  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -4.769  -4.610  -0.527  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -6.866  -4.327  -0.044  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   4   6
BRANCH   3  17
ATOM     17  C   LIG    1        0.979  -0.010  -0.180  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.443  -1.228  -0.985  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.911  -1.540  -0.686  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        3.134  -1.722   0.750  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1        2.737  -0.552   1.537  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        1.260  -0.216   1.315  0.00  0.00    +0.038 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.466  -2.242   1.085  0.00  0.00    +0.122 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.636  -1.355   0.781  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        6.305  -1.391  -0.427  0.00  0.00    +0.119 A 
ATOM     26  N   LIG    1        7.357  -0.605  -0.731  0.00  0.00    -0.243 NA
ATOM     27  C   LIG    1        7.746   0.242   0.234  0.00  0.00    +0.221 A 
ATOM     28  N   LIG    1        7.185   0.369   1.445  0.00  0.00    -0.243 NA
ATOM     29  C   LIG    1        6.137  -0.443   1.690  0.00  0.00    +0.119 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   3  30
ATOM     30  C   LIG    1       -0.582   1.367  -1.566  0.00  0.00    +0.144 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -1.059   2.725  -1.100  0.00  0.00    -0.030 A 
ATOM     32  C   LIG    1       -0.574   3.315   0.076  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -1.026   4.572   0.479  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.958   5.261  -0.293  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -2.436   4.696  -1.473  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1       -1.986   3.438  -1.877  0.00  0.00    +0.005 A 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 7