REMARK  Name = BDB009193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.849  -0.066   2.744  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.379   0.978   1.933  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.841   1.607   2.225  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.561   1.196   3.358  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.080   0.174   4.178  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.126  -0.456   3.874  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.307  -1.059   1.098  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        1.519  -0.870   0.499  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.127  -0.767   2.439  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        2.863  -1.057   3.373  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1        3.359  -2.049  -0.878  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1        3.421  -1.685   0.488  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.602  -1.938   1.199  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        5.706  -2.536   0.586  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.649  -2.890  -0.753  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.487  -2.647  -1.479  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1        2.147  -1.840  -1.764  0.00  0.00    +0.037 C 
BRANCH  17  19
ATOM     18  C   LIG    1        2.239   0.707  -1.948  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        2.258  -0.622  -2.687  0.00  0.00    +0.001 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -1.351   2.739   1.363  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.754   2.493   0.813  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -2.947   1.552  -0.336  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -1.773   0.903  -1.013  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -2.125   0.248  -2.352  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.432  -0.529  -2.256  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.585   0.387  -1.840  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.214   1.332  -0.730  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -5.335   2.037  -0.061  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -6.501   1.869  -0.404  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -4.987   2.890   0.951  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -5.739   3.381   1.423  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.727   3.119   1.406  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6