REMARK  Name = BDB049360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.702  -0.675  -0.334  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.038   0.521  -0.642  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.648   0.592  -0.468  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.804   1.666  -0.679  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.374   1.214  -0.342  0.00  0.00    +0.115 A 
ATOM      6  C   LIG    1       -1.748   1.773  -0.244  0.00  0.00    +0.061 C 
ATOM      7  C   LIG    1       -2.573   0.450  -0.225  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.640  -0.633   0.380  0.00  0.00    +0.104 C 
ATOM      9  N   LIG    1       -0.332  -0.105   0.012  0.00  0.00    -0.323 N 
ATOM     10  C   LIG    1        0.952  -0.534  -0.006  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        1.591  -1.733   0.317  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.980  -1.781   0.138  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        5.519  -0.184  -3.038  0.00  0.00    +0.070 C 
ATOM     14  C   LIG    1        5.942  -0.550  -1.666  0.00  0.00    +0.088 A 
ATOM     15  C   LIG    1        5.136  -0.764  -0.517  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        6.043  -1.068   0.475  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.947  -1.377   1.914  0.00  0.00    +0.090 C 
ATOM     18  O   LIG    1        7.298  -1.055  -0.049  0.00  0.00    -0.359 OA
ATOM     19  N   LIG    1        7.240  -0.729  -1.390  0.00  0.00    -0.083 NA
ENDBRANCH   1  15
BRANCH   6  20
ATOM     20  C   LIG    1       -1.959   2.588   1.041  0.00  0.00    +0.046 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.587   4.045   0.884  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1       -2.575   5.007   0.628  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -2.232   6.352   0.476  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -0.900   6.748   0.574  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        0.090   5.800   0.822  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -0.251   4.455   0.977  0.00  0.00    +0.003 A 
ENDBRANCH  20  21
ENDBRANCH   6  20
BRANCH   8  27
ATOM     27  C   LIG    1       -1.921  -2.062  -0.116  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.238  -2.563   0.320  0.00  0.00    -0.296 NA
ATOM     29  C   LIG    1       -4.317  -2.353  -0.672  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -4.766  -3.636  -1.393  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1       -5.223  -4.656  -0.498  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -4.565  -4.625   0.775  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1       -3.168  -3.990   0.707  0.00  0.00    +0.112 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5