REMARK  Name = BDB031048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.292   0.574  -0.626  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        1.393   0.560   0.160  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        2.293  -0.420  -0.035  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        2.122  -1.403  -1.001  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.992  -1.367  -1.813  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.059  -0.356  -1.629  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -4.088   0.583   0.364  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -2.776   0.445   0.083  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1       -1.962   1.571  -0.068  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -2.440   2.871   0.079  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -1.482   3.763  -0.051  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -0.349   3.031  -0.291  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -3.826   3.031   0.347  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -0.613   1.676  -0.359  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -4.614   1.947   0.478  0.00  0.00    +0.009 A 
BRANCH   7  17
ATOM     16  C   LIG    1       -5.793  -0.955  -0.708  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1       -5.046  -0.537   0.535  0.00  0.00    -0.006 C 
ATOM     18  C   LIG    1       -4.678  -1.624   1.530  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -5.766  -0.651   1.867  0.00  0.00    +0.012 C 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1        3.390  -0.387   0.829  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1        3.200   0.448   1.389  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.697  -0.308   0.159  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        5.372  -1.675   0.014  0.00  0.00    +0.201 C 
ATOM     24  F   LIG    1        5.328  -2.059  -1.294  0.00  0.00    -0.242 F 
ATOM     25  C   LIG    1        6.825  -1.466   0.436  0.00  0.00    +0.119 C 
ATOM     26  N   LIG    1        7.030  -0.015   0.597  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1        7.250   0.379  -0.321  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        5.707   0.471   1.013  0.00  0.00    +0.106 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 4