REMARK  Name = BDB014819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.417   0.255  -0.191  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        1.219  -0.789  -0.656  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        2.603  -0.627  -0.822  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        3.233   0.588  -0.526  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        2.432   1.637  -0.058  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.050   1.473   0.105  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.686   0.756  -0.701  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        5.494   1.208   0.361  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        6.873   1.374   0.200  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1        7.454   1.082  -1.036  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.673   0.632  -2.099  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.299   0.470  -1.931  0.00  0.00    +0.009 A 
BRANCH   9  13
ATOM     13  O   LIG    1        7.756   1.805   1.149  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        7.245   2.141   2.426  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        6.677   1.071   3.022  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        6.345   3.144   2.345  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        8.268   2.560   3.205  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  N   LIG    1       -0.981   0.156  -0.006  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1       -1.360   1.023   0.350  0.00  0.00    +0.154 HD
BRANCH  18  25
ATOM     20  C   LIG    1       -6.010   2.494   0.583  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1       -6.456   1.059   0.709  0.00  0.00    +0.213 C 
ATOM     22  N   LIG    1       -5.483   0.077   0.565  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -4.038   0.390   0.590  0.00  0.00    +0.148 C 
ATOM     24  C   LIG    1       -3.239  -0.742   0.055  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1       -1.849  -0.865  -0.219  0.00  0.00    +0.150 A 
ATOM     26  N   LIG    1       -1.575  -2.088  -0.688  0.00  0.00    -0.156 NA
ATOM     27  N   LIG    1       -2.754  -2.730  -0.728  0.00  0.00    -0.269 N 
ATOM     28  C   LIG    1       -2.798  -4.087  -1.213  0.00  0.00    +0.172 C 
ATOM     29  C   LIG    1       -3.779  -1.968  -0.270  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -5.212  -2.325  -0.144  0.00  0.00    +0.074 C 
ATOM     31  C   LIG    1       -5.880  -1.325   0.821  0.00  0.00    +0.114 C 
ATOM     32  O   LIG    1       -7.642   0.800   0.917  0.00  0.00    -0.276 OA
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 5