REMARK  Name = BDB057182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.227  -0.436   0.102  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        3.123  -1.396  -0.307  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        2.888  -2.330  -0.605  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        4.387  -0.862  -0.288  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        4.211   0.448   0.155  0.00  0.00    +0.104 A 
ATOM      6  C   LIG    1        5.346   1.276   0.283  0.00  0.00    +0.089 A 
ATOM      7  C   LIG    1        6.607   0.757  -0.062  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        6.731  -0.555  -0.500  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        7.945  -1.025  -0.815  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.631  -1.403  -0.623  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1        2.871   0.685   0.368  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -3.159  -0.353   0.047  0.00  0.00    +0.073 C 
ATOM     13  C   LIG    1       -1.691  -0.702  -0.314  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -1.194  -1.974   0.417  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        0.314  -1.955   0.329  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        0.843  -0.735   0.147  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1       -1.626  -2.044   1.891  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -3.088  -1.667   2.082  0.00  0.00    +0.082 C 
ATOM     19  S   LIG    1       -0.365   0.514   0.040  0.00  0.00    -0.116 S 
ATOM     20  N   LIG    1       -3.380  -0.356   1.507  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1       -2.766   0.344   1.931  0.00  0.00    +0.122 HD
BRANCH  12  23
ATOM     22  C   LIG    1       -5.345   0.852  -0.428  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -3.808   0.916  -0.628  0.00  0.00    -0.021 C 
ATOM     24  C   LIG    1       -3.336   2.265  -0.051  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.545   0.916  -2.148  0.00  0.00    +0.012 C 
ENDBRANCH  12  23
ENDBRANCH   1  16
BRANCH   6  26
ATOM     26  C   LIG    1        5.276   2.671   0.745  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1        6.130   3.513   0.529  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        4.203   2.944   1.498  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        4.274   3.895   1.714  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH   6  26
TORSDOF 4