REMARK  Name = BDB036234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.477   0.631  -0.687  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -2.056   0.056   0.542  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.735  -0.337   0.624  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.543  -0.839   1.891  0.00  0.00    +0.121 A 
ATOM      5  CA  LIG    1       -1.768  -0.741   2.518  0.00  0.00    +0.085 A 
ATOM      6  C   LIG    1        0.174  -0.199  -0.447  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.231   0.337  -1.567  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.701  -0.188   1.666  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1       -1.547   0.736  -1.659  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.755  -1.254  -1.188  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.919   0.239  -1.209  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.845   1.107  -0.964  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.099   2.485  -0.994  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.381   2.951  -1.263  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.376   2.022  -1.499  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -6.175   0.687  -1.482  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1        1.472  -0.634  -0.272  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.627  -1.337   0.441  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.378  -0.756  -1.399  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.771  -0.998  -0.894  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.514  -0.006  -0.260  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.142   1.387   0.092  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        5.524   1.921   0.469  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        6.375   0.812   0.839  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.789  -0.264   0.225  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.384  -1.504   0.110  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.662  -2.513  -0.529  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.375  -2.255  -1.020  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        3.706  -3.256  -1.611  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   5  30
ATOM     30  C   LIG    1       -2.162  -1.120   3.904  0.00  0.00    +0.212 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -3.285  -0.362   4.350  0.00  0.00    -0.389 OA
ATOM     32  H   LIG    1       -3.730  -0.073   3.527  0.00  0.00    +0.210 HD
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 6