REMARK  Name = BDB055109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.837   1.891   1.230  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1       -1.539   1.085   0.331  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -2.748   1.444  -0.238  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -3.209   0.473  -1.083  0.00  0.00    -0.207 NA
ATOM      5  C   LIG    1       -2.312  -0.491  -1.030  0.00  0.00    +0.159 A 
ATOM      6  N   LIG    1       -3.372   2.612   0.022  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -2.707   3.398   0.902  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -1.278  -0.157  -0.192  0.00  0.00    -0.334 N 
ATOM      9  H   LIG    1       -0.451  -0.708   0.010  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1       -1.486   3.103   1.515  0.00  0.00    +0.059 A 
ATOM     11 BR   LIG    1       -0.767   4.391   2.710  0.00  0.00    -0.047 Br
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        2.839   0.302   2.648  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1        1.542  -0.035   3.274  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        0.436   1.038   3.132  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        0.361   1.433   1.725  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        1.590   2.000   1.153  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        2.842   1.619   1.989  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        3.408  -0.798   1.854  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1        2.393  -1.041  -3.157  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        2.464  -1.067  -1.686  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        1.394  -1.599  -1.044  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1        1.601  -1.558   0.322  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1        2.807  -0.993   0.492  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        3.394  -0.672  -0.759  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1       -2.398  -1.718  -1.752  0.00  0.00    +0.104 A 
ATOM     26  N   LIG    1       -3.336  -2.009  -2.718  0.00  0.00    -0.331 N 
ATOM     27  C   LIG    1       -4.402  -1.157  -3.188  0.00  0.00    +0.150 C 
ATOM     28  C   LIG    1       -3.086  -3.272  -3.179  0.00  0.00    +0.199 A 
ATOM     29  N   LIG    1       -2.058  -3.816  -2.570  0.00  0.00    -0.243 NA
ATOM     30  C   LIG    1       -1.633  -2.867  -1.675  0.00  0.00    +0.142 A 
ENDBRANCH   5  25
TORSDOF 4