REMARK  Name = BDB031097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.951   0.641  -1.168  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1       -0.059  -0.176  -0.578  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        0.844   0.381   0.260  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.888   1.739   0.547  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -0.031   2.569  -0.080  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.960   2.014  -0.954  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.748  -0.575   0.872  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        3.130  -0.523   0.846  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        3.583  -1.619   1.581  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        4.989  -1.770   1.733  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        5.827  -0.891   1.151  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        5.333   0.229   0.348  0.00  0.00    +0.034 A 
ATOM     13  N   LIG    1        2.589  -2.361   2.015  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        3.998   0.381   0.226  0.00  0.00    +0.102 A 
ATOM     15  C   LIG    1        1.457  -1.740   1.558  0.00  0.00    +0.141 A 
BRANCH  12  16
ATOM     16  C   LIG    1        6.341   1.142  -0.289  0.00  0.00    +0.373 C 
ATOM     17  F   LIG    1        7.177   1.669   0.646  0.00  0.00    -0.204 F 
ATOM     18  F   LIG    1        5.746   2.201  -0.903  0.00  0.00    -0.204 F 
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1       -1.848   0.010  -2.030  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1       -1.582  -0.973  -1.974  0.00  0.00    +0.148 HD
BRANCH  19  22
ATOM     21  C   LIG    1       -3.685  -0.363  -0.338  0.00  0.00    +0.153 C 
ATOM     22  C   LIG    1       -3.272   0.217  -1.707  0.00  0.00    +0.115 C 
ATOM     23  C   LIG    1       -4.156  -0.571  -2.679  0.00  0.00    +0.105 C 
ATOM     24  N   LIG    1       -5.437  -0.694  -1.982  0.00  0.00    -0.312 NA
ATOM     25  H   LIG    1       -5.994  -1.456  -2.366  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -5.092  -0.942  -0.577  0.00  0.00    +0.114 C 
BRANCH  21  28
ATOM     27  C   LIG    1       -3.651   0.168   1.974  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1       -3.687   0.677   0.648  0.00  0.00    -0.377 OA
ENDBRANCH  21  28
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 5