REMARK  Name = BDB008513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.519  -0.964   0.720  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.801  -0.981   0.458  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1        1.523  -2.060   0.826  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.924  -3.127   1.471  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1        1.617  -4.213   1.841  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1       -0.422  -3.034   1.702  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1       -1.160  -1.969   1.336  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -1.181   0.180   0.288  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -0.510   0.797  -0.149  0.00  0.00    +0.155 HD
BRANCH   8  12
ATOM     10  C   LIG    1       -4.133   2.368  -0.168  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -2.829   1.858  -0.227  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -2.493   0.651   0.405  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -3.507  -0.025   1.094  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -4.807   0.491   1.175  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -5.123   1.693   0.549  0.00  0.00    +0.015 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -3.641   4.584  -0.866  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -4.417   3.646  -0.857  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -5.598   3.641  -1.511  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -6.029   2.768  -1.562  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   8  12
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  N   LIG    1        2.921  -2.116   0.599  0.00  0.00    -0.296 N 
ATOM     21  H   LIG    1        3.203  -3.056   0.325  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.781  -1.137   0.048  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1        4.946  -1.526  -0.644  0.00  0.00    +0.062 A 
ATOM     24 CL   LIG    1        5.307  -3.204  -0.885  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.834  -0.581  -1.167  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.580   0.777  -0.993  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.448   1.184  -0.293  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.562   0.235   0.229  0.00  0.00    +0.025 A 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 6