REMARK  Name = BDB004107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.408  -0.501  -0.922  0.00  0.00    -0.296 N 
ATOM      2  C   LIG    1        1.584  -0.256  -0.126  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1        2.847  -0.270  -0.753  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        4.019  -0.023  -0.023  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        3.946   0.234   1.341  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.714   0.243   1.982  0.00  0.00    +0.017 A 
ATOM      7 BR   LIG    1        5.523   0.565   2.325  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1        2.955  -0.552  -2.179  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        1.855  -0.788  -2.895  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1        1.544  -0.002   1.253  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        0.507  -0.761  -2.290  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1       -0.456  -0.952  -3.033  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1       -4.390  -1.034   2.239  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -3.511  -0.830   1.402  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -2.274  -1.410   1.571  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -2.284  -2.097   2.316  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -1.183  -1.548   0.734  0.00  0.00    +0.242 C 
ATOM     18  O   LIG    1       -0.464  -2.539   0.871  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -0.960  -0.483  -0.358  0.00  0.00    +0.177 C 
ATOM     20  C   LIG    1       -1.382   0.927   0.083  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -2.886   1.182  -0.038  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -3.785  -0.029   0.154  0.00  0.00    +0.096 C 
ENDBRANCH   1  19
TORSDOF 1