REMARK  Name = BDB006718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.264  -1.731  -0.166  0.00  0.00    -0.259 N 
ATOM      2  C   LIG    1        2.044  -1.205   0.036  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        0.681  -1.583  -0.046  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -0.038  -0.425   0.386  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.898   0.710   0.714  0.00  0.00    +0.149 C 
ATOM      6  O   LIG    1        0.264  -2.672  -0.401  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        2.207   0.075   0.465  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        3.590   0.276   0.524  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        4.337   1.486   0.936  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        4.245  -0.834   0.125  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.422  -0.345   0.539  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.267  -1.330   0.168  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.639  -1.179   0.337  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.225  -0.050   0.877  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.531  -0.200   0.899  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -5.823  -1.436   0.372  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -3.373   1.018   1.298  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -3.918   2.281   1.914  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.689  -2.020   0.039  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -4.535  -3.363  -0.562  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -2.037   0.856   1.131  0.00  0.00    +0.032 A 
ENDBRANCH   4  11
BRANCH   5  22
ATOM     22  C   LIG    1        0.828   1.888  -0.230  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        1.058   3.174   0.279  0.00  0.00    +0.131 A 
ATOM     24  F   LIG    1        1.322   3.328   1.585  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        1.017   4.303  -0.530  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1        0.743   4.149  -1.880  0.00  0.00    +0.126 A 
ATOM     27  F   LIG    1        0.701   5.228  -2.671  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        0.512   2.891  -2.425  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        0.556   1.761  -1.605  0.00  0.00    +0.011 A 
ENDBRANCH   5  22
BRANCH   1  31
ATOM     30  C   LIG    1        3.743  -4.043   0.525  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1        3.599  -3.063  -0.624  0.00  0.00    +0.141 C 
ENDBRANCH   1  31
TORSDOF 3