REMARK  Name = BDB012933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.254   1.476  -1.722  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.903   1.833  -1.045  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.202   1.621   0.367  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -2.729   1.524   0.442  0.00  0.00    +0.015 C 
ATOM      5  C   LIG    1       -3.162   2.412  -0.732  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -2.109   2.138  -1.795  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1        0.256   1.365  -2.947  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        3.388   0.518  -0.121  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        2.986   1.491   0.705  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        1.844   1.933   0.155  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        1.389   2.733   0.578  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        1.441   1.228  -0.944  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.464   0.330  -1.177  0.00  0.00    +0.057 A 
BRANCH   8  14
ATOM     14  C   LIG    1        4.680  -0.212   0.136  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1        5.664  -0.001  -1.019  0.00  0.00    +0.014 C 
BRANCH  14  17
ATOM     16  C   LIG    1        5.651  -2.463   0.885  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        4.417  -1.706   0.416  0.00  0.00    +0.006 C 
ENDBRANCH  14  17
ENDBRANCH   8  14
ENDBRANCH   1  12
BRANCH   4  18
ATOM     18  C   LIG    1       -3.201   0.067   0.299  0.00  0.00    +0.079 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.688  -0.091   0.541  0.00  0.00    +0.140 C 
ATOM     20  O   LIG    1       -5.412   0.815   0.938  0.00  0.00    -0.297 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.294  -1.417   0.259  0.00  0.00    +0.092 C 
ATOM     22  C   LIG    1       -5.208  -2.472   1.321  0.00  0.00    +0.177 C 
ATOM     23  F   LIG    1       -4.397  -2.234   2.416  0.00  0.00    -0.245 F 
ATOM     24  C   LIG    1       -4.514  -2.687   0.015  0.00  0.00    +0.051 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6