REMARK  Name = BDB014121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.170  -0.489  -0.031  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.789   0.277   0.853  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -2.025  -0.454   0.552  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.867  -1.455  -0.352  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -3.127  -2.009  -0.507  0.00  0.00    +0.079 A 
ATOM      6  N   LIG    1       -4.039  -1.375   0.254  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -3.326  -0.418   0.902  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -3.992   0.483   1.809  0.00  0.00    +0.172 C 
ATOM      9  C   LIG    1       -0.500  -1.527  -0.759  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -0.058  -2.341  -1.551  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        3.758  -0.657  -1.101  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1        4.355   0.228  -0.158  0.00  0.00    +0.203 A 
ATOM     13  N   LIG    1        3.517   0.825   0.766  0.00  0.00    -0.277 N 
ATOM     14  C   LIG    1        4.338   1.617   1.536  0.00  0.00    +0.204 A 
ATOM     15  N   LIG    1        5.582   1.505   1.112  0.00  0.00    -0.128 NA
ATOM     16  C   LIG    1        2.143   0.602   0.824  0.00  0.00    +0.118 A 
ATOM     17  C   LIG    1        1.544  -0.235  -0.051  0.00  0.00    +0.058 A 
ATOM     18  N   LIG    1        5.591   0.634   0.050  0.00  0.00    -0.125 NA
ATOM     19  C   LIG    1        2.422  -0.870  -1.047  0.00  0.00    +0.074 A 
BRANCH  14  20
ATOM     20  C   LIG    1        3.850   2.442   2.656  0.00  0.00    +0.408 C 
ATOM     21  F   LIG    1        2.906   3.330   2.236  0.00  0.00    -0.201 F 
ATOM     22  F   LIG    1        3.229   1.672   3.594  0.00  0.00    -0.201 F 
ENDBRANCH  14  20
BRANCH  11  24
ATOM     23  C   LIG    1        4.161  -2.116  -2.958  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        4.654  -1.198  -1.992  0.00  0.00    -0.491 OA
ENDBRANCH  11  24
ENDBRANCH   1  17
BRANCH   2  25
ATOM     25  C   LIG    1       -0.890   1.755   0.520  0.00  0.00    -0.021 A 
ATOM     26  C   LIG    1       -0.882   2.704   1.558  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -0.980   4.069   1.276  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.094   4.499  -0.043  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -1.217   6.180  -0.387  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -1.113   3.575  -1.085  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -1.013   2.210  -0.805  0.00  0.00    +0.007 A 
ENDBRANCH   2  25
BRANCH   5  32
ATOM     32  C   LIG    1       -3.473  -3.190  -1.445  0.00  0.00    +0.040 C 
ATOM     33  C   LIG    1       -2.865  -4.543  -1.180  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -4.326  -4.319  -0.926  0.00  0.00    +0.010 C 
ENDBRANCH   5  32
TORSDOF 5