REMARK  Name = BDB011690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.567  -0.368   0.368  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -2.796  -1.166   0.559  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.696  -2.473   1.068  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.832  -3.268   1.253  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -5.077  -2.749   0.931  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -5.208  -1.456   0.435  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1       -6.171  -3.500   1.104  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -1.363  -3.006   1.432  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1       -1.221  -4.141   1.873  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1       -0.297  -2.158   1.256  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1        0.601  -2.523   1.552  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -4.071  -0.665   0.251  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -0.377  -0.877   0.756  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1        0.894  -0.128   0.660  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        1.990  -0.685  -0.016  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        3.191   0.018  -0.114  0.00  0.00    +0.163 A 
ATOM     17  O   LIG    1        4.203  -0.589  -0.815  0.00  0.00    -0.485 OA
ATOM     18  C   LIG    1        5.250   0.336  -1.130  0.00  0.00    +0.270 C 
ATOM     19  C   LIG    1        5.598   1.190   0.078  0.00  0.00    +0.270 C 
ATOM     20  O   LIG    1        4.482   2.003   0.458  0.00  0.00    -0.485 OA
ATOM     21  C   LIG    1        3.322   1.272   0.489  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1        2.240   1.840   1.153  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        1.033   1.141   1.242  0.00  0.00    +0.014 A 
ENDBRANCH  13  14
BRANCH   1  24
ATOM     24  O   LIG    1       -1.741   0.908  -0.130  0.00  0.00    -0.488 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.430   0.982  -1.528  0.00  0.00    +0.244 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.524   2.442  -1.997  0.00  0.00    +0.119 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -0.513   3.308  -1.385  0.00  0.00    -0.327 NA
ATOM     28  H   LIG    1        0.416   2.902  -1.496  0.00  0.00    +0.118 HD
ATOM     29  H   LIG    1       -0.503   4.212  -1.852  0.00  0.00    +0.118 HD
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 5