REMARK  Name = BDB009339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.275   1.359   0.275  0.00  0.00    +0.070 A 
ATOM      2  C   LIG    1        1.138   2.547  -0.451  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        2.046   2.854  -1.391  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        0.087   3.425  -0.217  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.858   3.120   0.760  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.757   1.929   1.495  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        0.323   1.061   1.251  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  12
ATOM      8  O   LIG    1        2.066  -1.300   1.328  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1        2.720  -0.664   0.508  0.00  0.00    +0.304 C 
ATOM     10  N   LIG    1        3.896  -1.205   0.075  0.00  0.00    -0.296 N 
ATOM     11  H   LIG    1        4.030  -2.136   0.451  0.00  0.00    +0.151 HD
ATOM     12  N   LIG    1        2.390   0.548  -0.027  0.00  0.00    -0.267 N 
ATOM     13  H   LIG    1        2.990   0.917  -0.749  0.00  0.00    +0.156 HD
BRANCH  10  14
ATOM     14  C   LIG    1        4.801  -0.748  -0.970  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1        6.155  -1.468  -0.895  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1        6.473  -1.881  -2.325  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1        5.107  -2.165  -2.920  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        4.247  -1.035  -2.374  0.00  0.00    +0.022 C 
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   6  19
ATOM     19  C   LIG    1       -1.771   1.593   2.567  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.209   1.580   2.059  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.767   0.335   1.442  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -2.921  -0.896   1.287  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.549  -1.957   0.381  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.038  -2.117   0.662  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.779  -0.796   0.458  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -5.051   0.380   1.047  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.834   1.633   1.198  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -7.003   1.715   0.837  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.172   2.688   1.764  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -5.691   3.551   1.886  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.885   2.683   2.203  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4