REMARK  Name = BDB016466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.254  -1.178   1.937  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -2.048  -0.953   1.373  0.00  0.00    -0.210 NA
ATOM      3  C   LIG    1       -0.976  -0.897   2.188  0.00  0.00    +0.158 A 
ATOM      4  C   LIG    1       -1.106  -1.096   3.555  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1       -0.052  -1.047   4.382  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1       -2.369  -1.330   4.038  0.00  0.00    +0.155 A 
ATOM      7  N   LIG    1       -3.463  -1.379   3.254  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -4.747  -0.317   0.049  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -4.424  -1.276   1.046  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -5.269  -2.401   1.186  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -6.375  -2.602   0.361  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.665  -1.680  -0.633  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.861  -0.552  -0.788  0.00  0.00    +0.004 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -3.091   0.879  -1.422  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -3.936   0.963  -0.148  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -4.811   2.223  -0.163  0.00  0.00    +0.012 C 
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  N   LIG    1        0.310  -0.712   1.645  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1        0.850  -0.078   2.228  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.332  -0.328   0.241  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.761  -0.056  -0.171  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.684  -1.106  -0.260  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        4.009  -0.860  -0.634  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.449   0.440  -0.927  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        3.518   1.487  -0.831  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.192   1.244  -0.456  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.844   0.698  -1.323  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        6.434   0.002  -2.391  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        7.757   0.247  -2.768  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.514   1.192  -2.081  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.949   1.893  -1.018  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.625   1.647  -0.643  0.00  0.00    +0.008 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6