REMARK  Name = BDB055159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.206   1.611   2.455  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.953   2.445   1.408  0.00  0.00    +0.076 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -4.840   0.785   0.473  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.700   0.310  -0.170  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.445   0.850   0.135  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.314   1.879   1.075  0.00  0.00    -0.044 A 
ATOM      7  C   LIG    1       -3.463   2.361   1.709  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.715   1.821   1.402  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -6.124   0.375   0.257  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -7.957  -1.042  -0.149  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.427  -0.923  -0.276  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -5.797  -2.061   0.538  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.129  -1.048  -1.781  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -5.947  -2.101  -2.374  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.118   0.152  -2.417  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.235   0.887  -1.777  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        0.229   0.354   1.932  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.413   0.286   1.256  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        1.759  -0.998   0.827  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        2.943  -1.220   0.117  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.805  -0.161  -0.170  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        3.447   1.127   0.247  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        2.262   1.351   0.959  0.00  0.00    +0.048 A 
BRANCH  21  24
ATOM     24  N   LIG    1        4.974  -0.408  -0.913  0.00  0.00    -0.149 NA
ATOM     25  N   LIG    1        5.989  -0.053  -0.274  0.00  0.00    -0.149 NA
BRANCH  25  26
ATOM     26  C   LIG    1        7.158  -0.315  -1.012  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1        8.131  -1.163  -0.470  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        9.316  -1.421  -1.163  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        9.543  -0.824  -2.402  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.588   0.033  -2.947  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        7.404   0.289  -2.252  0.00  0.00    +0.029 A 
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10