REMARK  Name = BDB056910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.725   2.277  -2.092  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -3.709   1.301  -1.341  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -4.940   0.966  -0.605  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -5.307  -0.313  -0.213  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -6.550  -0.532   0.410  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -7.417   0.530   0.664  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -7.054   1.816   0.284  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.477  -1.497  -0.442  0.00  0.00    +0.196 A 
ATOM      9  O   LIG    1       -5.011  -2.537  -0.818  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -3.053  -1.504  -0.078  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -2.149  -0.495  -0.426  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -0.771  -0.679  -0.107  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -0.365  -1.844   0.577  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.280  -2.830   0.925  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.616  -2.664   0.588  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -5.830   2.030  -0.353  0.00  0.00    +0.014 A 
ATOM     17  N   LIG    1       -2.520   0.658  -1.145  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1       -1.761   1.203  -1.560  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  12  19
ATOM     19  C   LIG    1        0.245   0.314  -0.468  0.00  0.00    +0.250 A 
ATOM     20  O   LIG    1        1.515   0.137   0.020  0.00  0.00    -0.417 OA
ATOM     21  C   LIG    1        2.177   1.210  -0.519  0.00  0.00    +0.255 A 
ATOM     22  N   LIG    1        1.391   1.982  -1.239  0.00  0.00    -0.108 NA
ATOM     23  N   LIG    1        0.142   1.402  -1.207  0.00  0.00    -0.107 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.617   1.365  -0.197  0.00  0.00    +0.326 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.280   0.179  -0.633  0.00  0.00    -0.483 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.627   0.104  -0.409  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        6.420   1.088   0.185  0.00  0.00    +0.045 A 
ATOM     28  C   LIG    1        7.792   0.876   0.353  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.377  -0.316  -0.072  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.591  -1.300  -0.666  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        6.221  -1.087  -0.834  0.00  0.00    +0.045 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  12  19
TORSDOF 4