REMARK  Name = BDB061190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.680  -0.278  -0.070  0.00  0.00    +0.080 A 
ATOM      2  N   LIG    1        1.958  -1.269   0.530  0.00  0.00    -0.239 N 
ATOM      3  C   LIG    1        0.626  -1.165   0.730  0.00  0.00    +0.202 A 
ATOM      4  N   LIG    1        0.047  -2.166   1.327  0.00  0.00    -0.148 NA
ATOM      5  N   LIG    1        1.099  -3.026   1.540  0.00  0.00    -0.226 N 
ATOM      6  H   LIG    1        0.995  -3.925   1.994  0.00  0.00    +0.194 HD
ATOM      7  C   LIG    1       -0.051   0.103   0.252  0.00  0.00    +0.164 A 
ATOM      8  N   LIG    1        0.661   1.040  -0.319  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1        2.300  -2.489   1.051  0.00  0.00    +0.349 A 
ATOM     10  O   LIG    1        3.386  -3.040   1.107  0.00  0.00    -0.245 OA
ATOM     11  C   LIG    1        2.017   0.825  -0.470  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        4.670   0.826   1.872  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1        5.075   0.129   0.605  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        4.126  -0.402  -0.281  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        4.596  -1.048  -1.432  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        5.963  -1.148  -1.663  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        6.824  -0.587  -0.739  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        6.413   0.052   0.378  0.00  0.00    -0.260 NA
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  N   LIG    1       -1.409   0.205   0.446  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1       -1.800  -0.479   1.091  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.084   1.485   0.436  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.571   1.275   0.451  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.255   0.724  -0.629  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.740   0.197  -1.917  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.061   0.059  -2.672  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.143  -0.046  -1.718  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.628   0.521  -0.581  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.382   0.849   0.527  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.721   1.412   1.618  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.335   1.619   1.573  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.736   2.153   2.647  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 4