REMARK  Name = BDB026444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.282   1.077   2.704  0.00  0.00    -0.218 N 
ATOM      2  C   LIG    1       -1.549  -0.097   3.343  0.00  0.00    +0.247 C 
ATOM      3  O   LIG    1       -2.655  -0.607   3.477  0.00  0.00    -0.273 OA
ATOM      4  C   LIG    1       -0.240  -0.670   3.913  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -0.026  -2.086   3.396  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1       -0.307  -0.626   5.439  0.00  0.00    +0.041 C 
ATOM      7  N   LIG    1        0.699   0.313   3.386  0.00  0.00    -0.269 N 
ATOM      8  C   LIG    1        0.052   1.351   2.726  0.00  0.00    +0.312 C 
ATOM      9  O   LIG    1        0.604   2.343   2.274  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -2.276   1.911   2.059  0.00  0.00    +0.173 C 
BRANCH  10  14
ATOM     11  C   LIG    1       -2.841   0.946  -2.078  0.00  0.00    -0.027 A 
ATOM     12  C   LIG    1       -2.244   2.119  -1.631  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -2.061   2.437  -0.328  0.00  0.00    -0.258 NA
ATOM     14  C   LIG    1       -2.495   1.553   0.604  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1       -3.120   0.360   0.250  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -3.289   0.056  -1.100  0.00  0.00    +0.007 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -2.152  -0.564  -3.966  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -2.969   0.665  -3.559  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -4.432   0.509  -3.980  0.00  0.00    +0.012 C 
ENDBRANCH  11  18
ENDBRANCH  10  14
ENDBRANCH   1  10
BRANCH   7  20
ATOM     20  C   LIG    1        2.143   0.250   3.536  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.922  -0.512   2.441  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1        4.326  -0.417   2.747  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        4.597   0.506   2.590  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        2.688  -0.001   0.998  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        1.452  -0.517   0.386  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        0.955   0.372  -0.680  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        1.702   0.282  -1.992  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        2.408  -0.883  -2.341  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        3.046  -0.961  -3.586  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        2.968   0.102  -4.486  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.258   1.252  -4.148  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        2.533  -2.018  -1.357  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        1.625   1.341  -2.908  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        1.588  -1.882  -0.151  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 8