REMARK  Name = BDB009450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.651  -0.991  -1.589  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.623  -0.143  -0.831  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -1.191   1.142  -0.179  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -2.364   2.033   0.239  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -3.458   1.217   0.915  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.984   0.126  -0.020  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.891  -0.586  -0.769  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -3.275  -1.844  -1.458  0.00  0.00    +0.268 A 
ATOM      9  O   LIG    1       -4.426  -2.268  -1.437  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -2.270  -2.494  -2.120  0.00  0.00    -0.243 N 
ATOM     11  H   LIG    1       -2.512  -3.356  -2.597  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1       -0.972  -2.097  -2.193  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.815  -0.575  -1.673  0.00  0.00    +0.092 C 
BRANCH  13  19
ATOM     14  C   LIG    1        3.057   0.136   1.350  0.00  0.00    +0.063 A 
ATOM     15  C   LIG    1        2.967  -1.103   2.006  0.00  0.00    +0.144 A 
ATOM     16  F   LIG    1        3.622  -1.281   3.166  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        2.245  -2.169   1.479  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        1.557  -2.006   0.280  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        1.575  -0.770  -0.380  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        2.331   0.289   0.161  0.00  0.00    +0.029 A 
BRANCH  14  22
ATOM     21  C   LIG    1        4.393   2.181   1.115  0.00  0.00    +0.125 C 
ATOM     22  N   LIG    1        3.752   1.193   1.965  0.00  0.00    -0.345 N 
ATOM     23  H   LIG    1        4.382   0.820   2.678  0.00  0.00    +0.146 HD
ENDBRANCH  14  22
ENDBRANCH  13  19
ENDBRANCH   1  13
TORSDOF 3