REMARK  Name = BDB049669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.740   0.896  -0.767  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.425  -0.260  -0.369  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.797  -0.121  -0.351  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        3.128   0.824  -0.225  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.835  -1.285  -0.043  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.758  -1.134  -0.156  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        5.074  -0.732   0.090  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        6.072  -1.685   0.275  0.00  0.00    +0.128 A 
ATOM      9  F   LIG    1        7.326  -1.267   0.503  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.795  -3.051   0.224  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1        6.891  -4.056   0.397  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        4.484  -3.452  -0.046  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.473  -2.500  -0.234  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -3.243  -0.707  -0.410  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1       -2.203  -0.683   0.633  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.343   0.584   0.656  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -0.737   0.926  -0.717  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -1.388   0.127  -1.849  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -2.896   0.060  -1.607  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -4.624  -0.540   0.101  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1       -5.661  -0.266  -1.006  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.036  -1.822   0.879  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -6.561  -0.661   2.571  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.409  -1.789   1.563  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1        1.380   1.923  -1.601  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.132   2.973  -0.813  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        1.675   3.437   0.429  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.386   4.414   1.129  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.555   4.947   0.591  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.012   4.508  -0.650  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.303   3.531  -1.350  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7