REMARK  Name = BDB041314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.447  -0.293   0.208  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -2.019   0.770  -0.614  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1       -0.662   0.813  -1.004  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.278   1.870  -1.842  0.00  0.00    +0.122 A 
ATOM      5  N   LIG    1       -1.092   2.861  -2.278  0.00  0.00    -0.263 NA
ATOM      6  C   LIG    1       -2.377   2.794  -1.889  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        0.220  -0.199  -0.551  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -0.206  -1.223   0.218  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1       -2.879   1.790  -1.078  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -1.510  -1.253   0.571  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -7.319  -1.509   0.986  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.953  -0.938   1.051  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -5.647  -0.024   1.978  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1       -4.349   0.256   1.755  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -3.684   1.214   2.608  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1       -3.819  -0.428   0.686  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1       -4.846  -1.227   0.224  0.00  0.00    +0.052 A 
ENDBRANCH   1  16
BRANCH   7  18
ATOM     18  N   LIG    1        1.579  -0.153  -0.915  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        1.976   0.735  -0.627  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.380  -1.280  -0.450  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.817  -1.054  -0.832  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.671  -0.246  -0.086  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.411   0.551   1.138  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.851   0.894   1.520  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.684   0.809   0.342  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.981  -0.023  -0.491  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.503  -0.579  -1.641  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.670  -1.400  -2.400  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.347  -1.630  -1.995  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.580  -2.424  -2.756  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   7  18
TORSDOF 4