REMARK  Name = BDB018089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.290  -1.545   0.091  0.00  0.00    +0.008 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -4.470  -2.863  -0.199  0.00  0.00    +0.007 C 
ATOM      3  C   LIG    1       -2.977  -2.944   0.132  0.00  0.00    -0.013 C 
ATOM      4  C   LIG    1       -2.775  -3.705   1.446  0.00  0.00    +0.007 C 
ENDBRANCH   1   3
BRANCH   1   5
ATOM      5  C   LIG    1       -2.901  -0.523   1.082  0.00  0.00    +0.078 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -3.796   0.483   0.386  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -3.172   1.372  -0.447  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1       -2.164   1.316  -0.594  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1       -3.839   2.341  -1.153  0.00  0.00    +0.259 A 
ATOM     10  O   LIG    1       -3.272   3.127  -1.903  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -5.297   2.376  -0.951  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -5.851   1.433  -0.080  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1       -7.232   1.445   0.126  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -8.041   2.380  -0.527  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -7.474   3.315  -1.394  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.096   3.316  -1.610  0.00  0.00    +0.015 A 
ATOM     17  N   LIG    1       -5.073   0.476   0.594  0.00  0.00    -0.234 NA
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1       -0.762  -1.675   0.306  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.014  -0.443  -0.151  0.00  0.00    +0.216 C 
ATOM     20  N   LIG    1        1.407  -0.516  -0.108  0.00  0.00    -0.301 N 
ATOM     21  C   LIG    1        2.142   0.704  -0.438  0.00  0.00    +0.108 C 
ATOM     22  C   LIG    1        3.532   0.417  -0.993  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        4.315  -0.510  -0.062  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        3.515  -1.799   0.157  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        2.124  -1.502   0.703  0.00  0.00    +0.108 C 
ATOM     26  O   LIG    1       -0.578   0.567  -0.540  0.00  0.00    -0.276 OA
BRANCH  23  27
ATOM     27  C   LIG    1        5.692  -0.812  -0.653  0.00  0.00    +0.169 C 
ATOM     28  O   LIG    1        5.897  -1.853  -1.277  0.00  0.00    -0.292 OA
BRANCH  27  29
ATOM     29  C   LIG    1        6.765   0.157  -0.476  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        6.748   1.368   0.190  0.00  0.00    +0.119 A 
ATOM     31  N   LIG    1        8.003   1.894   0.064  0.00  0.00    -0.274 N 
ATOM     32  C   LIG    1        8.478   3.152   0.588  0.00  0.00    +0.172 C 
ATOM     33  N   LIG    1        8.842   1.109  -0.631  0.00  0.00    -0.179 NA
ATOM     34  C   LIG    1        8.089   0.057  -0.960  0.00  0.00    +0.145 A 
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7