REMARK  Name = BDB008578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.404  -0.753   0.181  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1        3.089  -1.579   1.052  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        4.488  -1.499   1.530  0.00  0.00    +0.083 C 
ATOM      4  C   LIG    1        4.421  -2.539   2.647  0.00  0.00    +0.234 C 
ATOM      5  O   LIG    1        3.323  -3.447   2.389  0.00  0.00    -0.491 OA
ATOM      6  C   LIG    1        2.502  -2.727   1.558  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1        1.215  -3.104   1.232  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        0.472  -2.276   0.378  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1        1.091  -1.107  -0.145  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -0.965  -2.582  -0.040  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -1.508  -3.967   0.347  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -1.891  -1.488   0.356  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -2.367  -0.645  -0.668  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -1.987  -0.769  -1.838  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.390   0.455  -0.290  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -4.389   0.621  -1.310  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -4.313   1.856  -2.023  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -2.877   2.332  -2.253  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -2.157   2.605  -1.001  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -2.276   3.585  -0.745  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -2.672   1.768   0.101  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -2.478  -1.516   1.681  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -1.730  -1.841   2.949  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -2.182  -0.442   2.699  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   8  10
BRANCH   1  25
ATOM     25  O   LIG    1        3.083   0.339  -0.277  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.438   1.119  -1.288  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.393   2.238  -1.695  0.00  0.00    +0.069 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.879   3.062  -2.872  0.00  0.00    +0.163 C 
BRANCH  28  30
ATOM     29  C   LIG    1        0.865   4.030  -2.026  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        2.196   4.248  -2.471  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9