REMARK  Name = BDB017077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.481  -0.780  -1.841  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -1.322  -1.734  -2.375  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -2.368  -1.517  -3.346  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -0.993  -2.945  -1.841  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        0.000  -2.842  -0.991  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.329  -1.497  -0.963  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.562   1.492  -1.784  0.00  0.00    +0.132 A 
ATOM      8  C   LIG    1       -0.527   0.636  -2.204  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        0.483   1.151  -3.033  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        0.448   2.484  -3.448  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -0.601   3.300  -3.043  0.00  0.00    +0.127 A 
ATOM     12  F   LIG    1       -0.639   4.575  -3.454  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -1.610   2.817  -2.221  0.00  0.00    +0.084 A 
BRANCH   7  14
ATOM     14  O   LIG    1       -2.599   1.081  -0.986  0.00  0.00    -0.491 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.158   0.828   0.359  0.00  0.00    +0.229 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.229   1.353   1.311  0.00  0.00    +0.041 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -1.689   1.657   3.322  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -2.959   1.022   2.778  0.00  0.00    -0.000 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   6  19
ATOM     19  C   LIG    1        1.377  -0.970  -0.089  0.00  0.00    +0.092 A 
ATOM     20  N   LIG    1        1.484   0.376   0.032  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        2.438   0.858   0.854  0.00  0.00    +0.112 A 
ATOM     22  C   LIG    1        3.301   0.059   1.579  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        3.183  -1.327   1.459  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        2.203  -1.846   0.608  0.00  0.00    +0.041 A 
BRANCH  23  25
ATOM     25  C   LIG    1        4.059  -2.214   2.208  0.00  0.00    +0.204 A 
ATOM     26  N   LIG    1        5.013  -1.802   3.064  0.00  0.00    -0.133 NA
ATOM     27  N   LIG    1        5.494  -2.986   3.470  0.00  0.00    -0.176 N 
ATOM     28  H   LIG    1        6.250  -3.062   4.145  0.00  0.00    +0.214 HD
ATOM     29  N   LIG    1        4.923  -4.069   2.935  0.00  0.00    -0.049 NA
ATOM     30  N   LIG    1        3.997  -3.587   2.119  0.00  0.00    -0.108 NA
ENDBRANCH  23  25
ENDBRANCH   6  19
TORSDOF 7