REMARK  Name = BDB050147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.487  -1.517   0.565  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.295  -1.064   0.284  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        0.510  -1.971  -0.357  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1        0.180  -3.269  -0.713  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        1.180  -3.887  -1.301  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        2.194  -2.966  -1.327  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -1.119  -3.717  -0.398  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.815  -1.759  -0.764  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -1.963  -2.889   0.227  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.574  -0.524  -0.582  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        2.030   0.720  -0.922  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.771   1.895  -0.753  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        4.074   1.849  -0.239  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1        4.626   0.601   0.084  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        3.883  -0.572  -0.085  0.00  0.00    +0.010 A 
BRANCH  13  16
ATOM     16  C   LIG    1        4.882   3.113  -0.077  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1        5.792   3.040   0.935  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        5.593   3.420  -1.197  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        4.116   4.207   0.192  0.00  0.00    -0.166 F 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     20  N   LIG    1       -2.318  -0.631   1.209  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1       -1.759   0.158   1.534  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  CA  LIG    1       -3.510  -0.110   0.517  0.00  0.00    +0.097 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.725   2.045   1.954  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -4.346   0.730   1.500  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -3.103   0.658  -0.761  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -1.969   1.496  -0.538  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -1.216   0.896  -0.363  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7