REMARK  Name = BDB006845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.784  -1.038   0.251  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.007  -1.155  -0.882  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        1.362  -0.784  -0.984  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.834  -1.052  -2.268  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        3.144  -0.776  -2.620  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        3.981  -0.215  -1.655  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        3.538   0.070  -0.345  0.00  0.00    +0.019 A 
ATOM      8  F   LIG    1        5.252   0.037  -2.008  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        0.781  -1.684  -3.118  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        2.196  -0.229  -0.023  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -0.455  -1.580  -2.216  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1       -0.383  -0.618   1.340  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        4.437   0.661   0.666  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1        5.234   1.781   0.369  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        6.079   2.344   1.330  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.144   1.798   2.608  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.365   0.690   2.927  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.520   0.128   1.964  0.00  0.00    +0.008 A 
ENDBRANCH   7  13
BRANCH   1  19
ATOM     19  C   LIG    1       -2.249  -1.488   0.123  0.00  0.00    +0.181 C 
BRANCH  19  26
ATOM     20  C   LIG    1       -4.183   2.356   1.549  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -4.074   0.900   1.098  0.00  0.00    +0.065 C 
ATOM     22  N   LIG    1       -5.431   0.384   0.819  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1       -5.857   0.978   0.106  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -5.345  -0.984   0.285  0.00  0.00    +0.096 C 
ATOM     25  C   LIG    1       -4.405  -1.103  -0.936  0.00  0.00    +0.100 C 
ATOM     26  N   LIG    1       -3.042  -0.571  -0.729  0.00  0.00    -0.291 NA
ATOM     27  C   LIG    1       -3.140   0.787  -0.140  0.00  0.00    +0.103 C 
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 3