REMARK  Name = BDB011105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.163  -0.621  -0.040  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        0.478  -1.747   0.209  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.820  -1.694  -0.081  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1       -1.696  -2.809   0.038  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -3.049  -2.268  -0.268  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -2.891  -0.811  -0.756  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -3.984  -2.389   0.955  0.00  0.00    +0.182 C 
ATOM      8  O   LIG    1       -3.370  -1.902   2.152  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -2.148  -2.593   2.477  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1       -1.561  -3.465   1.345  0.00  0.00    +0.135 C 
ATOM     11  C   LIG    1       -1.449  -0.555  -0.527  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.695   0.579  -0.715  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1        0.630   0.535  -0.483  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        5.266  -0.730   1.033  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1        4.368  -1.402   1.758  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1        3.073  -1.341   1.354  0.00  0.00    +0.125 A 
ATOM     17  C   LIG    1        2.600  -0.631   0.249  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        3.575   0.038  -0.515  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1        4.920  -0.012  -0.099  0.00  0.00    +0.056 A 
BRANCH  18  20
ATOM     20  C   LIG    1        3.240   0.794  -1.776  0.00  0.00    +0.418 C 
ATOM     21  F   LIG    1        2.731   2.034  -1.541  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        4.345   1.016  -2.553  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        2.367   0.151  -2.597  0.00  0.00    -0.166 F 
ENDBRANCH  18  20
BRANCH  14  24
ATOM     24  N   LIG    1        6.591  -0.816   1.442  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1        6.603  -1.357   2.303  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        7.013   0.097   1.565  0.00  0.00    +0.144 HD
ENDBRANCH  14  24
ENDBRANCH   1  17
BRANCH  12  27
ATOM     27  N   LIG    1       -1.273   1.767  -1.169  0.00  0.00    -0.310 N 
ATOM     28  C   LIG    1       -0.320   2.745  -1.732  0.00  0.00    +0.134 C 
ATOM     29  C   LIG    1       -1.085   4.015  -2.135  0.00  0.00    +0.178 C 
ATOM     30  O   LIG    1       -1.749   4.667  -1.038  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1       -1.925   3.814   0.102  0.00  0.00    +0.178 C 
ATOM     32  C   LIG    1       -2.283   2.365  -0.269  0.00  0.00    +0.134 C 
ENDBRANCH  12  27
TORSDOF 4