REMARK  Name = BDB060580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.075  -3.046  -1.001  0.00  0.00    +0.139 C 
ATOM      2  N   LIG    1       -3.568  -1.822  -0.385  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -2.156  -1.712  -0.184  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -1.586  -0.920   0.809  0.00  0.00    +0.154 A 
ATOM      5  C   LIG    1       -0.203  -0.896   1.011  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1        0.611  -1.651   0.186  0.00  0.00    +0.123 A 
ATOM      7  N   LIG    1        0.103  -2.435  -0.778  0.00  0.00    -0.238 NA
ATOM      8  O   LIG    1       -2.334  -0.212   1.717  0.00  0.00    -0.453 OA
ATOM      9  C   LIG    1       -3.060   0.795   1.144  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1       -4.095   0.539   0.254  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -4.795   1.622  -0.284  0.00  0.00    +0.139 A 
ATOM     12  C   LIG    1       -4.478   2.933   0.071  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -3.455   3.177   0.985  0.00  0.00    +0.006 A 
ATOM     14  F   LIG    1       -5.774   1.438  -1.182  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -2.747   2.106   1.526  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -1.247  -2.455  -0.934  0.00  0.00    +0.140 A 
ATOM     17  C   LIG    1       -4.517  -0.833  -0.086  0.00  0.00    +0.257 C 
ATOM     18  O   LIG    1       -5.729  -1.039  -0.163  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   6  19
ATOM     19  N   LIG    1        1.992  -1.688   0.316  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        2.308  -2.329  -0.412  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.708  -0.410   0.288  0.00  0.00    +0.072 C 
ATOM     22  C   LIG    1        2.686   0.201  -1.122  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1        3.539   1.464  -1.201  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1        4.971   1.211  -0.735  0.00  0.00    +0.115 C 
ATOM     25  C   LIG    1        5.001   0.599   0.662  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1        4.154  -0.667   0.740  0.00  0.00    +0.025 C 
BRANCH  24  27
ATOM     27  O   LIG    1        5.682   2.442  -0.703  0.00  0.00    -0.392 OA
ATOM     28  H   LIG    1        5.701   2.796  -1.609  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3