REMARK  Name = BDB039087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.993   1.362  -0.658  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.090   0.363  -0.338  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.672   0.686  -0.448  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.745  -0.330   0.168  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.225  -1.532   0.741  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        2.342  -2.454   1.322  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.962  -2.238   1.334  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.499  -1.056   0.748  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.759  -0.520   0.579  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1       -0.632   0.680  -0.090  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.638   0.939  -0.331  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.710  -1.795   0.779  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.351  -0.119   0.175  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.445  -1.050  -0.331  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.679   2.526  -0.879  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.784   1.571  -0.472  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -1.569   2.184  -1.866  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -2.709   3.127  -2.245  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -2.911   4.213  -1.193  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -3.115   3.620   0.198  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -1.978   2.674   0.580  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        8.239   1.920  -1.018  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.278   0.913  -0.700  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.994  -1.129   1.040  0.00  0.00    +0.128 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.604  -2.046  -0.018  0.00  0.00    +0.057 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.912  -2.630   0.454  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1       -5.116  -1.953   0.220  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.323  -2.482   0.680  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.337  -3.687   1.379  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.144  -4.365   1.620  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.935  -3.839   1.162  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 5