REMARK  Name = BDB021357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.682   0.563   0.378  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.016  -0.596  -0.120  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        1.365  -0.594  -0.061  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.792  -1.819  -0.518  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.646  -2.486  -0.882  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        2.104   0.495   0.432  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        1.487   1.545   0.898  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.468  -1.722  -0.643  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.108   1.554   0.846  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -5.042   0.339  -2.067  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.301   0.664  -0.798  0.00  0.00    -0.045 A 
ATOM     12  C   LIG    1       -4.969   1.082   0.371  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -4.215   1.330   1.531  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -2.828   1.165   1.539  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -2.153   0.751   0.385  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1       -2.904   0.491  -0.770  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -6.476   1.274   0.427  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -7.247   0.032   0.247  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -7.045  -0.898   1.360  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -8.670   0.340   0.105  0.00  0.00    +0.104 C 
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   1  15
BRANCH   5  21
ATOM     21  C   LIG    1        0.553  -3.805  -1.429  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1        0.527  -4.878  -1.875  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1        3.482   0.463   0.454  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.784   1.245   1.037  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.213   0.555  -0.810  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.689   0.637  -0.545  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        6.401  -0.380   0.087  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.931  -1.658   0.674  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        7.279  -2.342   0.899  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        8.313  -1.334   0.974  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        7.765  -0.259   0.324  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        8.484   0.859  -0.051  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        7.797   1.883  -0.700  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        6.422   1.764  -0.942  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        5.797   2.773  -1.567  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7