REMARK  Name = BDB006988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.008   0.600   0.356  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.153  -0.147   0.615  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        2.474   0.342   0.584  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        3.367  -0.659   0.946  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        4.713  -0.372   0.967  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        5.199   0.846   0.645  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1        4.308   1.826   0.294  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        2.667  -1.942   1.298  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        2.811  -2.250   2.793  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        3.166  -3.120   0.458  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.931   1.603   0.253  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        1.199  -1.584   0.946  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.028   1.811   0.130  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        4.823   3.211  -0.084  0.00  0.00    +0.288 C 
ATOM     15  F   LIG    1        4.212   4.196   0.646  0.00  0.00    -0.199 F 
ATOM     16  F   LIG    1        4.543   3.514  -1.390  0.00  0.00    -0.199 F 
ATOM     17  C   LIG    1        6.323   3.382   0.107  0.00  0.00    +0.092 C 
ENDBRANCH   7  14
BRANCH   1  18
ATOM     18  C   LIG    1       -1.324  -0.188   0.421  0.00  0.00    +0.181 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.735  -0.205  -0.142  0.00  0.00    +0.097 C 
ATOM     20  N   LIG    1       -2.409   0.449  -0.365  0.00  0.00    -0.286 NA
ATOM     21  C   LIG    1       -2.071   0.414  -1.811  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1       -3.178   1.018  -2.708  0.00  0.00    +0.065 C 
ATOM     23  C   LIG    1       -2.776   0.938  -4.180  0.00  0.00    +0.025 C 
ATOM     24  N   LIG    1       -4.453   0.306  -2.526  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -5.177   0.772  -3.073  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -4.830   0.356  -1.104  0.00  0.00    +0.102 C 
BRANCH  19  27
ATOM     27  C   LIG    1       -4.250  -0.038   1.315  0.00  0.00    +0.179 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -5.565  -2.002   1.623  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1       -5.557  -0.585   1.525  0.00  0.00    -0.381 OA
ENDBRANCH  27  29
ENDBRANCH  19  27
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5