REMARK  Name = BDB013180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.746   0.013  -0.355  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.109  -1.064   0.328  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.261  -1.131   0.257  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.611  -2.267   0.927  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.462  -2.832   1.432  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.040  -0.191  -0.423  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.463   0.787  -1.066  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.550  -2.075   1.051  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.916   0.862  -1.006  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.692   0.327  -2.939  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        4.030   0.352  -1.493  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.169   0.205  -0.370  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        3.999   0.277   0.736  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        3.725   0.197   2.193  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1        5.261   0.428   0.221  0.00  0.00    -0.265 N 
ATOM     16  N   LIG    1        5.301   0.529  -1.115  0.00  0.00    -0.175 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.496   0.533   1.033  0.00  0.00    +0.108 C 
ATOM     18  C   LIG    1        7.780  -0.154   0.628  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1        7.032  -0.630   1.837  0.00  0.00    +0.029 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.412  -0.297  -0.444  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.757   0.304  -1.191  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.165   0.011   0.769  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.614  -0.300   0.548  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.496   0.596  -0.050  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.260   1.949  -0.610  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.710   2.398  -0.799  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.555   1.229  -0.890  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.822   0.248  -0.276  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.332  -0.988   0.071  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.468  -1.899   0.678  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.130  -1.553   0.907  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.325  -2.458   1.483  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5