REMARK  Name = BDB004551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.558   0.500  -0.262  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.326   0.240   0.374  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.420  -0.612  -0.286  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.198  -0.871   0.371  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.105  -0.322   1.557  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        0.809   0.482   2.094  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.747  -1.156  -1.554  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.963  -0.886  -2.164  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.005   0.779   1.572  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.869  -0.062  -1.516  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.375   1.975   1.528  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.492   1.835   2.011  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.080   2.576   1.930  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.618   1.378   0.328  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        5.688   1.567  -0.243  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.733  -1.746  -0.232  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.283  -2.649  -0.345  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.026  -1.884   0.431  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.961  -0.756   0.055  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -3.375  -0.588  -1.276  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -4.244   0.449  -1.625  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -4.702   1.325  -0.643  0.00  0.00    +0.018 A 
ATOM     23 BR   LIG    1       -5.876   2.730  -1.114  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1       -4.298   1.175   0.682  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -3.430   0.138   1.028  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4