REMARK  Name = BDB006834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.760  -0.010  -0.480  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.877  -0.334   0.288  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        3.218  -0.094  -0.068  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        4.072  -0.557   0.937  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        5.449  -0.436   0.825  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1        5.959   0.163  -0.323  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        5.117   0.629  -1.335  0.00  0.00    +0.040 A 
ATOM      8  F   LIG    1        7.285   0.294  -0.460  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        3.310  -1.163   2.069  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        3.730   0.501  -1.211  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        1.857  -0.996   1.605  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1        0.830   0.538  -1.581  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -0.593  -0.388   0.172  0.00  0.00    +0.181 C 
BRANCH  13  20
ATOM     14  C   LIG    1       -5.503  -0.864  -0.265  0.00  0.00    +0.025 C 
ATOM     15  C   LIG    1       -4.282  -0.044  -0.682  0.00  0.00    +0.065 C 
ATOM     16  N   LIG    1       -4.435   1.343  -0.201  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1       -5.002   1.377   0.644  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -3.136   1.979   0.067  0.00  0.00    +0.096 C 
ATOM     19  C   LIG    1       -1.966   1.428  -0.777  0.00  0.00    +0.100 C 
ATOM     20  N   LIG    1       -1.760  -0.031  -0.656  0.00  0.00    -0.291 NA
ATOM     21  C   LIG    1       -2.976  -0.719  -0.185  0.00  0.00    +0.103 C 
ENDBRANCH  13  20
ENDBRANCH   1  13
TORSDOF 2