REMARK  Name = BDB004410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.232  -2.363  -0.651  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1        0.177  -1.438  -0.553  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.694  -3.320  -1.017  0.00  0.00    +0.267 C 
ATOM      4  O   LIG    1        0.497  -4.509  -1.225  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.070  -2.739  -1.167  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        2.186  -1.422  -0.821  0.00  0.00    -0.239 NA
ATOM      7  C   LIG    1        3.408  -0.842  -0.960  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.504  -1.556  -1.448  0.00  0.00    +0.149 A 
ATOM      9  F   LIG    1        5.697  -0.968  -1.622  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.362  -2.899  -1.788  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        3.121  -3.511  -1.642  0.00  0.00    +0.036 A 
BRANCH   7  12
ATOM     12  C   LIG    1        3.480   0.565  -0.560  0.00  0.00    +0.073 A 
ATOM     13  C   LIG    1        2.531   1.501  -0.994  0.00  0.00    +0.135 A 
ATOM     14  F   LIG    1        1.535   1.128  -1.813  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        2.582   2.842  -0.607  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        3.596   3.284   0.239  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        4.549   2.376   0.693  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        4.483   1.038   0.297  0.00  0.00    +0.135 A 
ATOM     19  F   LIG    1        5.403   0.195   0.788  0.00  0.00    -0.205 F 
ENDBRANCH   7  12
ENDBRANCH   3   5
BRANCH   1  21
ATOM     20  C   LIG    1       -2.395  -1.379  -0.079  0.00  0.00    -0.020 A 
ATOM     21  C   LIG    1       -1.610  -2.516  -0.398  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -2.246  -3.760  -0.433  0.00  0.00    +0.134 A 
ATOM     23  N   LIG    1       -3.560  -3.962  -0.171  0.00  0.00    -0.261 NA
ATOM     24  C   LIG    1       -4.279  -2.873   0.147  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -3.754  -1.591   0.206  0.00  0.00    +0.025 A 
BRANCH  20  29
ATOM     26  C   LIG    1       -2.599   0.670   3.051  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -1.446   1.259   2.232  0.00  0.00    -0.012 C 
ATOM     28  C   LIG    1       -0.905   0.249   1.212  0.00  0.00    +0.011 C 
ATOM     29  C   LIG    1       -1.790   0.027  -0.039  0.00  0.00    +0.023 C 
ATOM     30  C   LIG    1       -2.751   1.208  -0.305  0.00  0.00    +0.026 C 
ATOM     31  C   LIG    1       -2.075   2.527   0.071  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -1.837   2.603   1.587  0.00  0.00    +0.021 C 
BRANCH  31  33
ATOM     33  N   LIG    1       -2.891   3.663  -0.354  0.00  0.00    -0.327 NA
ATOM     34  H   LIG    1       -3.007   3.647  -1.367  0.00  0.00    +0.118 HD
ATOM     35  H   LIG    1       -2.415   4.536  -0.131  0.00  0.00    +0.118 HD
ENDBRANCH  31  33
ENDBRANCH  20  29
ENDBRANCH   1  21
TORSDOF 5