REMARK  Name = BDB009251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.284   0.769  -1.577  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.573  -0.308  -1.309  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.708  -0.533  -2.106  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.958   0.322  -3.189  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.116   1.403  -3.449  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.003   1.631  -2.641  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.937   2.189  -0.678  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.489   1.050  -0.747  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.069  -0.030  -0.113  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        1.776  -0.967  -0.353  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.281   0.122   0.670  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.531   0.207  -0.209  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.788   0.337   0.616  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        6.543  -0.795   0.952  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.696  -0.668   1.730  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        8.095   0.589   2.178  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        9.515   0.743   3.138  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        7.352   1.722   1.856  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        6.199   1.596   1.077  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       -2.629  -1.702  -1.834  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.043  -1.829  -0.371  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.040  -0.872   0.204  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.675   0.192  -0.648  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.896   0.845   0.009  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.629   1.155   1.476  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.281  -0.117   2.251  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.332  -1.017   1.509  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.701  -2.105   2.297  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.962  -2.282   3.482  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.815  -2.898   1.620  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -2.376  -3.650   2.142  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.472  -2.778   0.310  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6