REMARK  Name = BDB022955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.433  -2.019   0.443  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.180  -0.867  -0.249  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.869   0.429   0.380  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.583   1.009   1.419  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.058   1.811   2.192  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.502   0.931   0.187  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.115   0.603  -1.159  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        0.475  -0.244  -2.046  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        1.139  -0.476  -3.228  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        2.342   0.049  -3.522  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        2.890   0.860  -2.608  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.322   1.147  -1.430  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.879  -0.813  -1.759  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.060   0.648   1.581  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -3.868   1.885   2.041  0.00  0.00    +0.119 C 
ATOM     16  C   LIG    1       -5.302   1.490   2.415  0.00  0.00    +0.097 C 
ATOM     17  N   LIG    1       -5.324   0.424   3.428  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.705   0.111   3.807  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.645  -0.780   2.946  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.188  -0.485   2.605  0.00  0.00    +0.028 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.933   2.937   0.943  0.00  0.00    +0.395 C 
ATOM     22  F   LIG    1       -2.718   3.367   0.554  0.00  0.00    -0.170 F 
ATOM     23  F   LIG    1       -4.639   4.020   1.342  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1       -4.548   2.439  -0.159  0.00  0.00    -0.170 F 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  25
ATOM     25  N   LIG    1        4.106   1.474  -2.853  0.00  0.00    -0.308 N 
ATOM     26  H   LIG    1        4.423   1.827  -1.956  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.095   0.615  -3.494  0.00  0.00    +0.161 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.765  -0.419  -2.626  0.00  0.00    +0.080 A 
ATOM     29  N   LIG    1        7.016  -0.235  -2.174  0.00  0.00    -0.175 NA
ATOM     30  N   LIG    1        7.263  -1.333  -1.437  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        8.549  -1.497  -0.807  0.00  0.00    +0.172 C 
ATOM     32  C   LIG    1        6.219  -2.210  -1.400  0.00  0.00    +0.108 A 
ATOM     33  C   LIG    1        5.222  -1.639  -2.152  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  11  25
TORSDOF 5