REMARK  Name = BDB045961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.867   1.409  -0.498  0.00  0.00    +0.073 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.198   0.647  -0.354  0.00  0.00    -0.022 C 
ATOM      3  C   LIG    1       -3.324  -0.015  -0.225  0.00  0.00    -0.006 C 
ATOM      4  C   LIG    1       -4.127  -0.190  -1.505  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -5.513   0.087  -1.630  0.00  0.00    -0.031 A 
ATOM      6  C   LIG    1       -6.184  -0.037  -2.849  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -5.484  -0.442  -3.983  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -4.123  -0.730  -3.893  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -6.223   0.426  -0.452  0.00  0.00    +0.030 C 
ATOM     10  C   LIG    1       -5.970   0.284   1.026  0.00  0.00    +0.030 C 
ATOM     11  C   LIG    1       -4.920  -0.242   1.819  0.00  0.00    -0.031 A 
ATOM     12  C   LIG    1       -5.154  -0.608   3.147  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -4.130  -1.189   3.892  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.885  -1.411   3.307  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -2.654  -1.045   1.976  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -3.454  -0.606  -2.671  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -3.663  -0.447   1.195  0.00  0.00    -0.013 A 
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.481   2.142  -0.633  0.00  0.00    +0.210 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.651   2.767  -0.744  0.00  0.00    -0.476 OA
BRANCH  19  23
ATOM     20  C   LIG    1        5.000   0.469   0.179  0.00  0.00    -0.036 A 
ATOM     21  C   LIG    1        3.982  -0.102  -0.586  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        2.846   0.643  -0.909  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        2.723   1.959  -0.451  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        3.754   2.536   0.297  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.890   1.789   0.618  0.00  0.00    +0.008 A 
BRANCH  20  26
ATOM     26  C   LIG    1        6.151  -0.309   0.502  0.00  0.00    +0.066 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.258  -1.159   0.782  0.00  0.00    +0.222 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.166  -2.674   0.511  0.00  0.00    +0.392 C 
ATOM     29  O   LIG    1        6.280  -3.034  -0.316  0.00  0.00    -0.243 OA
ATOM     30  O   LIG    1        7.991  -3.383   1.157  0.00  0.00    -0.243 OA
ENDBRANCH  27  28
BRANCH  27  31
ATOM     31  O   LIG    1        8.246  -0.670   1.617  0.00  0.00    -0.345 OA
BRANCH  31  33
ATOM     32  C   LIG    1       10.885  -0.972   0.501  0.00  0.00    +0.035 C 
ATOM     33  C   LIG    1        9.452  -0.870   1.087  0.00  0.00    +0.143 C 
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9