REMARK  Name = BDB050801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.013   1.195  -0.175  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1       -2.619   0.340  -1.240  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -1.423  -0.419  -1.108  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.046  -1.277  -2.166  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.804  -1.392  -3.330  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.964  -0.648  -3.466  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.642  -0.308   0.072  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -1.049   0.539   1.102  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.364   0.204  -2.436  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.221   1.278   0.981  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -4.294   2.016  -0.206  0.00  0.00    +0.079 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.534   1.190   0.180  0.00  0.00    +0.230 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -6.797   1.956  -0.218  0.00  0.00    +0.334 C 
ATOM     14  O   LIG    1       -6.876   2.885  -1.008  0.00  0.00    -0.248 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.922   1.471   0.352  0.00  0.00    -0.479 OA
ATOM     16  H   LIG    1       -8.631   2.063   0.026  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  17
ATOM     17  O   LIG    1       -5.517   0.973   1.598  0.00  0.00    -0.365 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -6.661  -1.163   1.853  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -5.357  -0.394   1.973  0.00  0.00    +0.157 C 
ENDBRANCH  17  19
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   7  20
ATOM     20  O   LIG    1        0.509  -1.061   0.113  0.00  0.00    -0.491 OA
BRANCH  20  21
ATOM     21  C   LIG    1        1.242  -1.098   1.342  0.00  0.00    +0.235 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.439  -2.033   1.172  0.00  0.00    +0.100 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.575  -1.375   0.470  0.00  0.00    +0.086 A 
ATOM     24  C   LIG    1        3.782  -1.164  -0.876  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        3.030  -1.464  -2.105  0.00  0.00    +0.088 C 
ATOM     26  O   LIG    1        4.972  -0.509  -1.020  0.00  0.00    -0.440 OA
ATOM     27  C   LIG    1        5.434  -0.354   0.262  0.00  0.00    +0.228 A 
ATOM     28  N   LIG    1        4.633  -0.856   1.184  0.00  0.00    -0.214 NA
BRANCH  27  29
ATOM     29  C   LIG    1        6.716   0.327   0.423  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        7.249   0.504   1.710  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        8.473   1.152   1.896  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        9.181   1.631   0.796  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.667   1.464  -0.488  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.443   0.816  -0.673  0.00  0.00    +0.013 A 
ENDBRANCH  27  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 11