REMARK  Name = BDB021581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.978   0.600  -0.968  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        2.942   1.525  -0.837  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        1.677   1.146  -0.346  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        0.839   2.222  -0.305  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.534   2.014  -0.023  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.714   1.403   1.352  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.754  -0.046   1.254  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.204  -0.802   0.589  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.064  -2.021   0.471  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.450  -0.189   0.022  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        2.510  -1.115  -0.152  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.757  -0.733  -0.649  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     13  O   LIG    1        5.257   1.609  -2.616  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        5.274   1.042  -1.526  0.00  0.00    +0.247 C 
ATOM     15  N   LIG    1        6.445   0.778  -0.818  0.00  0.00    -0.298 N 
ATOM     16  C   LIG    1        6.515   0.484   0.611  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1        7.499  -0.651   0.882  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        8.791  -0.541   0.065  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1        8.934   0.815  -0.619  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1        7.704   1.135  -1.468  0.00  0.00    +0.108 C 
ENDBRANCH   1  14
BRANCH   7  21
ATOM     21  C   LIG    1       -1.883  -0.733   1.897  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.200  -0.670   1.090  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -4.260  -0.952   2.009  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -5.085  -0.646   1.593  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.191  -1.674  -0.088  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.290  -1.676  -1.060  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.592  -2.146  -0.600  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.582  -1.054  -0.252  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.398   0.270  -0.689  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.345   1.249  -0.355  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.475   0.914   0.391  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.667  -0.399   0.812  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.166   0.656  -1.467  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -7.729  -1.379   0.490  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.373  -0.550  -1.982  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 6