REMARK  Name = BDB017629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.540  -1.820  -2.571  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -5.033  -1.225  -1.625  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.766  -0.171  -0.874  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -7.202   0.072  -1.254  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.994   0.720  -0.114  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -7.223   1.890   0.485  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.879   1.470   0.857  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.697   1.453   1.857  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -5.189   0.495   0.146  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.793   0.175   0.529  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.123  -0.847  -0.160  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.809  -1.204   0.163  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.127  -0.529   1.182  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.782   0.507   1.861  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.097   0.858   1.535  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.767  -1.516  -1.206  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.288  -2.236  -1.727  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        0.295  -0.907   1.545  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.249   0.197   1.369  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        1.369   0.591  -0.058  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        2.778   1.069  -0.476  0.00  0.00    +0.122 C 
ATOM     22  N   LIG    1        3.747  -0.020  -0.264  0.00  0.00    -0.313 N 
ATOM     23  C   LIG    1        3.587  -0.787   0.983  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        2.571  -0.127   1.944  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.030   0.205  -0.751  0.00  0.00    +0.122 A 
ATOM     26  N   LIG    1        5.325   1.407  -1.290  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        6.566   1.623  -1.777  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        7.568   0.675  -1.772  0.00  0.00    +0.032 A 
ATOM     29  C   LIG    1        7.275  -0.581  -1.246  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        5.990  -0.806  -0.730  0.00  0.00    +0.056 A 
BRANCH  29  31
ATOM     31  C   LIG    1        8.312  -1.666  -1.200  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1        7.795  -2.908  -1.411  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.944  -1.724   0.005  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        9.296  -1.510  -2.130  0.00  0.00    -0.166 F 
ENDBRANCH  29  31
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 4