REMARK  Name = BDB054431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.953  -0.052   0.885  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -2.240  -0.013   0.490  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -3.118  -0.328   1.465  0.00  0.00    +0.188 A 
ATOM      4  C   LIG    1       -2.797  -0.669   2.765  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1       -3.923  -0.927   3.481  0.00  0.00    -0.126 NA
ATOM      6  N   LIG    1       -4.961  -0.759   2.672  0.00  0.00    -0.058 NA
ATOM      7  C   LIG    1       -1.452  -0.685   3.084  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1       -4.506  -0.394   1.435  0.00  0.00    -0.194 N 
ATOM      9  N   LIG    1       -0.541  -0.373   2.129  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -5.417  -0.148   0.370  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1       -4.974   0.227  -0.904  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -5.896   0.461  -1.929  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -7.262   0.322  -1.692  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -7.712  -0.051  -0.428  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.796  -0.286   0.600  0.00  0.00    +0.028 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  N   LIG    1       -0.041   0.270  -0.118  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1       -0.543   0.483  -0.967  0.00  0.00    +0.155 HD
BRANCH  16  21
ATOM     18  C   LIG    1        4.170   0.646  -0.428  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1        3.590   0.306   0.797  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        2.200   0.179   0.919  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        1.353   0.388  -0.172  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        1.949   0.721  -1.399  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        3.336   0.849  -1.530  0.00  0.00    +0.005 A 
BRANCH  18  24
ATOM     24  C   LIG    1        5.667   0.760  -0.564  0.00  0.00    +0.046 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.301  -0.583  -0.915  0.00  0.00    +0.125 C 
BRANCH  25  27
ATOM     26  O   LIG    1        8.464   0.554  -0.932  0.00  0.00    -0.251 OA
ATOM     27  C   LIG    1        7.791  -0.455  -1.052  0.00  0.00    +0.305 C 
BRANCH  27  28
ATOM     28  O   LIG    1        8.373  -1.635  -1.345  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1        9.328  -1.423  -1.407  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  18  24
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 7