REMARK  Name = BDB026851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.052   1.136   0.456  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.030   2.292   0.641  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.267   3.162  -0.440  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.150   4.236  -0.317  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.800   4.467   0.892  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.558   3.632   1.980  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.673   2.558   1.860  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.333   1.666   0.598  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.497   1.791   1.602  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.335   0.740   0.059  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.747   1.306   0.266  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.737  -1.393  -1.307  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        5.291  -1.527   0.008  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        4.328  -0.648   0.517  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        3.802   0.376  -0.280  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        4.248   0.502  -1.600  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        5.209  -0.376  -2.105  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        7.251  -3.219  -1.147  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        6.668  -2.181  -1.926  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.290  -0.029   1.448  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -0.653  -0.071   2.510  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.257  -1.094   1.135  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.258  -1.229   0.107  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -3.877  -2.473   0.290  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1       -4.903  -2.943  -0.539  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1       -5.335  -2.136  -1.590  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -4.755  -0.891  -1.798  0.00  0.00    +0.002 A 
ATOM     28 CL   LIG    1       -5.626  -4.480  -0.273  0.00  0.00    -0.081 Cl
ATOM     29  N   LIG    1       -3.293  -3.066   1.384  0.00  0.00    -0.359 N 
ATOM     30  H   LIG    1       -3.556  -3.974   1.746  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -3.727  -0.431  -0.963  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -2.333  -2.250   1.901  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8