REMARK  Name = BDB008880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.040   1.515  -0.308  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.281   0.679  -0.328  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -1.696  -0.119   0.876  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -2.804  -1.135   0.583  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -3.883  -0.536  -0.309  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.292  -0.059  -1.637  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.997   0.687  -1.466  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -1.526   1.469  -2.637  0.00  0.00    +0.268 A 
ATOM      9  O   LIG    1       -2.143   1.482  -3.697  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -0.365   2.171  -2.460  0.00  0.00    -0.243 N 
ATOM     11  H   LIG    1       -0.029   2.717  -3.246  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1        0.379   2.213  -1.323  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.806   1.581   0.961  0.00  0.00    +0.092 C 
BRANCH  13  19
ATOM     14  C   LIG    1        3.546  -0.983   0.183  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1        3.626  -1.637   1.418  0.00  0.00    +0.144 A 
ATOM     16  F   LIG    1        4.520  -2.624   1.589  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        2.786  -1.303   2.476  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        1.861  -0.271   2.321  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        1.776   0.429   1.107  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        2.650   0.084   0.059  0.00  0.00    +0.029 A 
BRANCH  14  21
ATOM     21  N   LIG    1        4.485  -1.234  -0.831  0.00  0.00    -0.356 N 
ATOM     22  H   LIG    1        4.155  -1.020  -1.766  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        4.902  -2.160  -0.756  0.00  0.00    +0.142 HD
ENDBRANCH  14  21
ENDBRANCH  13  19
ENDBRANCH   1  13
TORSDOF 3