REMARK  Name = BDB011692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.138  -1.194  -0.148  0.00  0.00    +0.092 A 
ATOM      2  C   LIG    1        1.247  -0.434  -0.271  0.00  0.00    +0.152 A 
ATOM      3  C   LIG    1        2.575  -1.083  -0.266  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        2.659  -2.470  -0.043  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1        3.893  -3.127  -0.016  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        5.051  -2.391  -0.222  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        4.998  -1.022  -0.458  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1        6.239  -3.009  -0.200  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        1.412  -3.251   0.146  0.00  0.00    +0.257 A 
ATOM     10  O   LIG    1        1.431  -4.458   0.353  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        3.763  -0.368  -0.482  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1        0.233  -2.548   0.066  0.00  0.00    -0.319 N 
ATOM     13  H   LIG    1       -0.610  -3.104   0.159  0.00  0.00    +0.169 HD
ENDROOT
BRANCH   1  18
ATOM     14  C   LIG    1       -3.812   0.487  -0.331  0.00  0.00    +0.155 A 
ATOM     15  C   LIG    1       -3.352  -0.160   0.821  0.00  0.00    +0.165 A 
ATOM     16  F   LIG    1       -4.142  -0.253   1.902  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -2.076  -0.714   0.888  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1       -1.220  -0.626  -0.214  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -1.678   0.011  -1.377  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -2.963   0.566  -1.435  0.00  0.00    +0.049 A 
BRANCH  14  22
ATOM     21  C   LIG    1       -5.570   1.681  -1.406  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -5.081   0.993  -0.262  0.00  0.00    -0.492 OA
ENDBRANCH  14  22
ENDBRANCH   1  18
BRANCH   2  23
ATOM     23  O   LIG    1        1.219   0.930  -0.487  0.00  0.00    -0.488 OA
BRANCH  23  24
ATOM     24  C   LIG    1        1.165   1.654   0.754  0.00  0.00    +0.244 C 
BRANCH  24  25
ATOM     25  C   LIG    1        0.906   3.135   0.448  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -0.383   3.356  -0.217  0.00  0.00    -0.327 NA
ATOM     27  H   LIG    1       -1.135   2.998   0.372  0.00  0.00    +0.118 HD
ATOM     28  H   LIG    1       -0.407   2.771  -1.055  0.00  0.00    +0.118 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 6