REMARK  Name = BDB033824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.128   0.216  -0.578  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -2.041   1.233  -1.195  0.00  0.00    +0.201 A 
ATOM      3  O   LIG    1       -1.673   2.023  -2.056  0.00  0.00    -0.286 OA
ATOM      4  C   LIG    1       -3.434   1.265  -0.732  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -3.841   0.345   0.220  0.00  0.00    +0.184 A 
ATOM      6  C   LIG    1       -5.162   0.357   0.671  0.00  0.00    +0.202 A 
ATOM      7  C   LIG    1       -6.067   1.294   0.167  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1       -5.660   2.220  -0.791  0.00  0.00    +0.050 A 
ATOM      9  O   LIG    1       -2.996  -0.592   0.746  0.00  0.00    -0.446 OA
ATOM     10  C   LIG    1       -4.338   2.206  -1.243  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -1.668  -0.631   0.329  0.00  0.00    +0.220 A 
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        2.436   0.198  -1.022  0.00  0.00    -0.271 N 
ATOM     13  N   LIG    1        2.100   0.260  -2.323  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        0.765   0.296  -2.303  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1        0.243   0.219  -0.993  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        1.357   0.184  -0.182  0.00  0.00    +0.117 A 
BRANCH  12  17
ATOM     17  C   LIG    1        3.836   0.159  -0.638  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.381  -1.268  -0.625  0.00  0.00    +0.023 C 
BRANCH  18  20
ATOM     19  C   LIG    1        6.238  -0.872   1.078  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        5.879  -1.338  -0.325  0.00  0.00    -0.002 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   1  15
BRANCH  11  21
ATOM     21  C   LIG    1       -0.913  -1.759   0.980  0.00  0.00    +0.451 C 
ATOM     22  F   LIG    1       -1.758  -2.706   1.471  0.00  0.00    -0.163 F 
ATOM     23  F   LIG    1       -0.074  -2.412   0.138  0.00  0.00    -0.163 F 
ATOM     24  F   LIG    1       -0.175  -1.327   2.035  0.00  0.00    -0.163 F 
ENDBRANCH  11  21
BRANCH   7  25
ATOM     25  O   LIG    1       -7.355   1.291   0.621  0.00  0.00    -0.503 OA
ATOM     26  H   LIG    1       -7.858   1.993   0.178  0.00  0.00    +0.292 HD
ENDBRANCH   7  25
BRANCH   6  27
ATOM     27  O   LIG    1       -5.587  -0.546   1.609  0.00  0.00    -0.501 OA
ATOM     28  H   LIG    1       -4.842  -1.132   1.827  0.00  0.00    +0.292 HD
ENDBRANCH   6  27
TORSDOF 7