REMARK  Name = BDB034397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.739  -1.242  -0.699  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        3.956  -0.544  -1.898  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        3.073   0.418  -2.373  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        1.915   0.715  -1.622  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.047   1.714  -2.140  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        1.344   2.309  -3.365  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        2.505   1.941  -4.011  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        1.691   0.008  -0.415  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1        3.366   1.018  -3.540  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        2.592  -0.955   0.040  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1       -0.175   2.083  -1.510  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -0.064   1.977  -0.502  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -1.285   1.228  -1.958  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.609   1.707  -1.359  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.676   1.678   0.173  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.291   0.408   0.798  0.00  0.00    -0.312 NA
ATOM     17  H   LIG    1       -2.250   0.547   1.808  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.220  -0.697   0.523  0.00  0.00    +0.120 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.556  -0.555   1.201  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -5.720  -0.314   0.488  0.00  0.00    +0.171 A 
ATOM     21  O   LIG    1       -5.821  -0.180  -0.864  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1       -7.237   0.046  -1.017  0.00  0.00    +0.466 C 
ATOM     23  O   LIG    1       -7.954   0.054   0.233  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1       -6.941  -0.178   1.111  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1       -7.079  -0.273   2.479  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.930  -0.520   3.230  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.680  -0.661   2.598  0.00  0.00    +0.009 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  28
ATOM     28  C   LIG    1        4.738  -2.265  -0.215  0.00  0.00    +0.070 C 
BRANCH  28  33
ATOM     29  F   LIG    1        8.082  -0.335   3.903  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.290  -0.795   2.926  0.00  0.00    +0.123 A 
ATOM     31  C   LIG    1        7.518  -0.395   1.615  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1        6.692  -0.873   0.596  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        5.638  -1.756   0.889  0.00  0.00    -0.043 A 
ATOM     34  C   LIG    1        5.424  -2.145   2.222  0.00  0.00    +0.007 A 
ATOM     35  C   LIG    1        6.251  -1.664   3.239  0.00  0.00    +0.038 A 
ENDBRANCH  28  33
ENDBRANCH   1  28
TORSDOF 9