REMARK  Name = BDB003687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.804   2.023   0.612  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1       -1.541   0.821   1.092  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -2.605   0.409   0.120  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -3.132   1.269  -0.821  0.00  0.00    +0.023 A 
ATOM      5  N   LIG    1       -4.085   0.612  -1.540  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1       -4.629   1.001  -2.297  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -4.194  -0.685  -1.079  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -5.033  -1.722  -1.508  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -4.930  -2.950  -0.848  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -4.027  -3.118   0.194  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1       -3.194  -2.083   0.619  0.00  0.00    +0.048 A 
ATOM     12  F   LIG    1       -3.952  -4.307   0.807  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.685   2.672  -1.020  0.00  0.00    +0.069 C 
ATOM     14  C   LIG    1       -3.276  -0.837  -0.032  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -1.757   3.072   0.160  0.00  0.00    +0.091 C 
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1        0.192   1.699  -0.418  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.617   1.681   0.151  0.00  0.00    +0.023 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.861   0.602   1.199  0.00  0.00    +0.081 C 
BRANCH  18  20
ATOM     19  O   LIG    1        3.818   1.261   2.407  0.00  0.00    -0.292 OA
ATOM     20  C   LIG    1        3.333   0.523   1.550  0.00  0.00    +0.163 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.218  -0.454   0.843  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1        5.510  -0.664   1.355  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        6.381  -1.562   0.734  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        5.962  -2.248  -0.399  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1        6.794  -3.109  -0.996  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        4.690  -2.049  -0.923  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        3.815  -1.150  -0.305  0.00  0.00    +0.014 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5