REMARK  Name = BDB003038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.831  -0.683   0.624  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1       -0.870   0.321   0.177  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.548  -0.211   0.435  0.00  0.00    +0.093 C 
ATOM      4  C   LIG    1        0.704  -0.843   1.833  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -0.518  -0.614   2.717  0.00  0.00    +0.020 C 
ATOM      6  C   LIG    1       -1.811  -1.067   2.034  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -6.344  -2.263   0.641  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -5.277  -1.429  -0.001  0.00  0.00    +0.044 A 
ATOM      9  N   LIG    1       -4.064  -1.420   0.587  0.00  0.00    -0.220 NA
ATOM     10  C   LIG    1       -3.089  -0.677   0.033  0.00  0.00    +0.218 A 
ATOM     11  N   LIG    1       -3.283   0.039  -1.086  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -4.502   0.020  -1.660  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -4.688   0.835  -2.903  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1       -5.548  -0.712  -1.144  0.00  0.00    +0.046 A 
ENDBRANCH   1  10
BRANCH   3  15
ATOM     15  C   LIG    1        1.581   0.892   0.206  0.00  0.00    +0.222 C 
ATOM     16  N   LIG    1        2.873   0.386   0.135  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1        2.955  -0.619   0.209  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        1.261   2.071   0.113  0.00  0.00    -0.275 OA
BRANCH  16  19
ATOM     19  C   LIG    1        4.082   1.100  -0.046  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        5.296   0.374  -0.103  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        5.346  -1.127   0.020  0.00  0.00    +0.045 C 
ATOM     22  C   LIG    1        6.512   1.063  -0.282  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        6.530   2.449  -0.402  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        5.336   3.150  -0.343  0.00  0.00    +0.125 A 
ATOM     25  F   LIG    1        5.354   4.484  -0.458  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        4.122   2.493  -0.168  0.00  0.00    +0.062 A 
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 3