REMARK  Name = BDB059087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.637   0.107   0.143  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -2.002   1.371  -0.253  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.742   1.112  -1.105  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1        0.249   0.271  -0.413  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.266  -0.483   0.748  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -1.709  -0.984   0.526  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.609   0.360  -0.620  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1        2.044   0.906  -1.797  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        1.388   1.165  -2.511  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        3.357   1.008  -2.142  0.00  0.00    +0.256 A 
ATOM     11  O   LIG    1        3.719   1.432  -3.234  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        4.315   0.562  -1.116  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1        5.778   0.713  -1.401  0.00  0.00    +0.117 C 
ATOM     14  C   LIG    1        6.642   0.455  -0.175  0.00  0.00    +0.253 C 
ATOM     15  C   LIG    1        6.140  -0.700   0.669  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1        4.701  -0.455   1.118  0.00  0.00    +0.062 C 
ATOM     17  F   LIG    1        6.696   1.577   0.591  0.00  0.00    -0.205 F 
ATOM     18  F   LIG    1        7.917   0.201  -0.567  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        3.802   0.050   0.014  0.00  0.00    +0.054 A 
ATOM     20  N   LIG    1        2.459  -0.071   0.264  0.00  0.00    -0.220 NA
ENDBRANCH   4   7
BRANCH   1  22
ATOM     21  C   LIG    1       -4.686  -1.094   0.808  0.00  0.00    +0.141 A 
ATOM     22  C   LIG    1       -3.915   0.089   0.709  0.00  0.00    +0.072 A 
ATOM     23  C   LIG    1       -4.520   1.258   1.202  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -5.787   1.246   1.802  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -6.494   0.055   1.925  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.942  -1.119   1.429  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -4.542  -2.376  -1.086  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -4.237  -2.297   0.307  0.00  0.00    -0.493 OA
ENDBRANCH  21  28
ENDBRANCH   1  22
TORSDOF 3