REMARK  Name = BDB009253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.276   0.760  -1.584  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.571  -0.323  -1.308  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.702  -0.567  -2.104  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.959   0.276  -3.195  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.127   1.363  -3.464  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.018   1.610  -2.656  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.913   2.205  -0.695  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.477   1.060  -0.755  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.066  -0.009  -0.111  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        1.783  -0.950  -0.344  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.277   0.161   0.671  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.527   0.248  -0.208  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.782   0.392   0.617  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        6.544  -0.732   0.962  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.695  -0.594   1.741  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        8.085   0.669   2.181  0.00  0.00    +0.018 A 
ATOM     17 BR   LIG    1        9.643   0.855   3.236  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1        7.335   1.795   1.850  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        6.185   1.656   1.071  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.612  -1.742  -1.824  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.028  -1.859  -0.360  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.035  -0.907   0.205  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.678   0.143  -0.656  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.905   0.791  -0.008  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.644   1.117   1.458  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.286  -0.146   2.244  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.327  -1.044   1.510  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.687  -2.119   2.309  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.949  -2.288   3.495  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.793  -2.910   1.640  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -2.348  -3.652   2.170  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.449  -2.798   0.330  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6