REMARK  Name = BDB013131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.013   0.808   0.356  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.699   1.783   1.106  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.027   1.965   0.804  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.473   2.913   1.678  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.485   3.313   2.446  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.696   1.257  -0.204  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.035   0.358  -0.882  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.363   2.601   2.083  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.707   0.146  -0.578  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.112  -0.160   0.909  0.00  0.00    +0.126 A 
ATOM     11  N   LIG    1       -3.648   0.022  -0.354  0.00  0.00    -0.250 NA
ATOM     12  C   LIG    1       -2.335   0.333  -0.489  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -1.434   0.460   0.568  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -1.947   0.272   1.854  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.294  -0.048   2.030  0.00  0.00    +0.033 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -5.891  -1.009   2.197  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1       -5.555  -0.536   1.108  0.00  0.00    +0.265 C 
ATOM     18  N   LIG    1       -6.484  -0.350   0.094  0.00  0.00    -0.296 N 
ATOM     19  C   LIG    1       -7.866  -0.757   0.276  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1       -8.488  -0.619  -1.105  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -7.713   0.546  -1.705  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -6.298   0.322  -1.185  0.00  0.00    +0.108 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        4.029   1.536  -0.440  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        4.349   2.475  -0.236  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.763   0.914  -1.534  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.115  -0.518  -1.245  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        5.726  -0.940  -0.066  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        6.085  -0.182   1.157  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        6.968  -1.221   1.847  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        6.619  -2.534   1.355  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        6.037  -2.280   0.140  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        5.766  -3.255  -0.797  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        5.178  -2.855  -1.996  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        4.868  -1.505  -2.211  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        4.327  -1.161  -3.389  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5