REMARK  Name = BDB026864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.228  -1.297  -0.382  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.166  -2.371   0.171  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.229  -2.886  -0.592  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.057  -3.892  -0.083  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.824  -4.417   1.184  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.756  -3.948   1.942  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.929  -2.942   1.436  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.384  -0.453   0.683  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -0.336   0.156   1.071  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.503   0.381   0.222  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.775  -0.404  -0.134  0.00  0.00    +0.053 C 
BRANCH  11  16
ATOM     12  C   LIG    1        6.907   2.452  -0.022  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1        5.714   1.752  -0.431  0.00  0.00    -0.274 N 
ATOM     14  N   LIG    1        5.281   1.865  -1.698  0.00  0.00    -0.180 NA
ATOM     15  C   LIG    1        4.189   1.098  -1.729  0.00  0.00    +0.138 A 
ATOM     16  C   LIG    1        3.909   0.501  -0.478  0.00  0.00    -0.009 A 
ATOM     17  C   LIG    1        4.925   0.950   0.341  0.00  0.00    +0.111 A 
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -0.831  -0.441  -1.518  0.00  0.00    +0.186 C 
ATOM     19  O   LIG    1       -0.452  -0.659  -2.677  0.00  0.00    -0.290 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -1.801   0.645  -1.275  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1       -2.664   0.974  -0.167  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -3.341   2.153  -0.504  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -4.262   2.785   0.343  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -4.522   2.198   1.581  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.888   1.020   1.950  0.00  0.00    +0.001 A 
ATOM     26  N   LIG    1       -2.936   2.518  -1.763  0.00  0.00    -0.360 N 
ATOM     27  H   LIG    1       -3.273   3.329  -2.264  0.00  0.00    +0.165 HD
ATOM     28  C   LIG    1       -2.968   0.403   1.090  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -2.028   1.620  -2.238  0.00  0.00    +0.095 A 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7