REMARK  Name = BDB054126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.553  -0.739   0.432  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.050   0.538   0.258  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.621   1.296   0.633  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.161  -1.737   0.370  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.372   0.768   0.085  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1        2.167   0.620   1.395  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        3.190   1.686   1.391  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        2.509   2.802   0.715  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1        1.674   2.185  -0.397  0.00  0.00    +0.039 C 
BRANCH   7  10
ATOM     10  C   LIG    1        4.413   1.282   0.668  0.00  0.00    +0.089 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.298   0.344   1.506  0.00  0.00    +0.050 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.565  -0.023   0.770  0.00  0.00    -0.046 A 
ATOM     13  C   LIG    1        6.593  -1.136  -0.082  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        7.757  -1.463  -0.778  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        8.901  -0.680  -0.633  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.882   0.431   0.207  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.718   0.760   0.905  0.00  0.00    +0.003 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   2   5
BRANCH   1  18
ATOM     18  C   LIG    1       -2.064  -0.775   0.811  0.00  0.00    +0.162 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.562  -2.226   1.062  0.00  0.00    +0.018 C 
ATOM     20  C   LIG    1       -3.806  -2.278   1.967  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1       -5.123  -2.095   1.226  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -5.259  -3.096   0.088  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -4.097  -2.993  -0.889  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -2.736  -3.095  -0.199  0.00  0.00    +0.006 C 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     25  C   LIG    1       -2.956   1.343  -0.156  0.00  0.00    +0.230 C 
ATOM     26  N   LIG    1       -2.834  -0.030  -0.179  0.00  0.00    -0.302 N 
ATOM     27  H   LIG    1       -3.015  -0.444  -1.088  0.00  0.00    +0.150 HD
ATOM     28  O   LIG    1       -2.520   2.026   0.769  0.00  0.00    -0.274 OA
BRANCH  25  29
ATOM     29  C   LIG    1       -3.533   1.945  -1.461  0.00  0.00    +0.137 C 
ATOM     30  C   LIG    1       -4.073   3.356  -1.247  0.00  0.00    +0.034 C 
BRANCH  29  32
ATOM     31  C   LIG    1       -5.784   0.952  -1.468  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1       -4.478   1.009  -2.119  0.00  0.00    -0.309 NA
ATOM     33  H   LIG    1       -4.621   1.322  -3.081  0.00  0.00    +0.122 HD
ENDBRANCH  29  32
ENDBRANCH  25  29
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 9