REMARK  Name = BDB034310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.203   0.173   2.841  0.00  0.00    -0.343 N 
ATOM      2  H   LIG    1       -0.718   0.881   2.288  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -3.488   0.382  -1.828  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -4.427  -0.014  -0.862  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -4.103  -0.149   0.481  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1       -2.784   0.132   0.902  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -2.502  -0.018   2.288  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.506  -0.464   3.145  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -4.759  -0.704   2.623  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -1.837   0.535  -0.071  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -5.070  -0.553   1.319  0.00  0.00    -0.255 NA
ATOM     12  C   LIG    1       -2.185   0.661  -1.416  0.00  0.00    +0.013 A 
BRANCH   3  14
ATOM     13  F   LIG    1       -4.796  -0.413  -3.668  0.00  0.00    -0.166 F 
ATOM     14  C   LIG    1       -3.899   0.531  -3.270  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       -2.854   0.437  -4.139  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -4.485   1.734  -3.519  0.00  0.00    -0.166 F 
ENDBRANCH   3  14
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.422  -1.071   2.791  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.971  -0.872   3.396  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.800   0.261   2.778  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.796   0.301   1.317  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1        2.220   1.176   1.005  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.546  -0.799   0.714  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.386  -0.679  -0.773  0.00  0.00    -0.019 A 
ATOM     24  C   LIG    1        3.281   0.046  -1.654  0.00  0.00    -0.006 A 
ATOM     25  C   LIG    1        2.858  -0.019  -2.986  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        3.572   0.616  -4.023  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        4.730   1.329  -3.712  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.173   1.413  -2.401  0.00  0.00    +0.001 A 
ATOM     29  S   LIG    1        1.415  -0.940  -3.147  0.00  0.00    -0.096 S 
ATOM     30  C   LIG    1        4.463   0.781  -1.375  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1        1.343  -1.252  -1.477  0.00  0.00    +0.051 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8