REMARK  Name = BDB024668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.612  -0.712  -0.487  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.481  -0.106   0.079  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.752   0.923   1.094  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.778   2.324   0.476  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.787   0.793   2.268  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.353   0.935   1.806  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.067   0.131   0.566  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.723  -0.118   0.197  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.424   0.260   0.861  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.428  -0.190   0.132  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -0.963  -0.870  -0.975  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.416  -0.816  -0.966  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.419  -1.271  -1.822  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.749  -1.016  -1.458  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.105  -0.352  -0.274  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.753  -0.273  -0.353  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.853  -1.523  -1.964  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -1.613  -1.125  -3.435  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -1.853  -2.606  -3.801  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -1.486  -2.973  -2.346  0.00  0.00    +0.025 C 
ENDBRANCH  11  17
BRANCH   1  22
ATOM     21  C   LIG    1        6.522  -2.541  -1.647  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1        5.361  -1.885  -1.135  0.00  0.00    -0.453 OA
ENDBRANCH   1  22
BRANCH  10  23
ATOM     23  C   LIG    1       -2.879   0.000   0.465  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.091   0.940   1.667  0.00  0.00    +0.135 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.492   1.550   1.609  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -4.641   2.935   1.432  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.911   3.510   1.343  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.047   2.709   1.429  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.916   1.334   1.605  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.647   0.757   1.692  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  C   LIG    1       -2.804   0.209   2.982  0.00  0.00    +0.313 C 
ATOM     32  O   LIG    1       -3.649  -0.198   3.768  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -1.484   0.022   3.228  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -0.903   0.282   2.469  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 7