REMARK  Name = BDB009032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.343  -2.236   0.191  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.936  -1.868   0.636  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.607  -2.607   1.626  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.964  -3.718   2.184  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.308  -4.088   1.750  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.958  -3.351   0.757  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.027  -2.421  -1.098  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.183  -1.579  -1.383  0.00  0.00    +0.217 C 
ATOM      9  N   LIG    1        0.926  -1.442  -0.818  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        0.359  -0.676  -1.161  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        2.418  -0.544  -2.475  0.00  0.00    +0.099 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.877  -0.472  -2.929  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.804   0.118  -1.865  0.00  0.00    +0.229 C 
BRANCH  13  14
ATOM     14  O   LIG    1        4.379   1.454  -1.588  0.00  0.00    -0.492 OA
BRANCH  14  15
ATOM     15  C   LIG    1        5.098   2.155  -0.659  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        6.181   1.673   0.077  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        6.827   2.501   1.000  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        6.394   3.812   1.192  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.313   4.298   0.461  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        4.669   3.470  -0.460  0.00  0.00    +0.045 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -2.969  -2.193   2.140  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.976  -1.887   1.033  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.378  -0.469   0.764  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -3.910   0.652   1.651  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -4.627   1.981   1.391  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.809   2.232  -0.099  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.617   1.106  -0.746  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.174  -0.259  -0.299  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -5.669  -1.409  -1.098  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -6.397  -1.251  -2.073  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -5.277  -2.647  -0.670  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -5.596  -3.447  -1.205  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -4.423  -2.903   0.356  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 8