REMARK  Name = BDB049245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.250  -0.491   0.121  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1       -2.801  -1.742   0.346  0.00  0.00    +0.193 A 
ATOM      3  C   LIG    1       -1.997  -2.858   0.449  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1       -2.864  -3.948   0.687  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1       -4.138  -3.423   0.717  0.00  0.00    +0.198 A 
ATOM      6  N   LIG    1       -0.655  -2.807   0.334  0.00  0.00    -0.211 NA
ATOM      7  C   LIG    1       -0.164  -1.577   0.097  0.00  0.00    +0.222 A 
ATOM      8  O   LIG    1       -4.112  -2.076   0.513  0.00  0.00    -0.458 OA
ATOM      9  N   LIG    1       -0.904  -0.449  -0.005  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -3.023   0.670   0.019  0.00  0.00    -0.318 N 
ATOM     11  H   LIG    1       -3.956   0.505   0.399  0.00  0.00    +0.148 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -2.366   1.886   0.544  0.00  0.00    +0.216 C 
BRANCH  12  14
ATOM     13  F   LIG    1       -1.779   3.171   2.456  0.00  0.00    -0.169 F 
ATOM     14  C   LIG    1       -2.256   1.964   2.074  0.00  0.00    +0.405 C 
ATOM     15  F   LIG    1       -3.478   1.816   2.645  0.00  0.00    -0.169 F 
ATOM     16  F   LIG    1       -1.446   1.020   2.596  0.00  0.00    -0.169 F 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   7  17
ATOM     17  N   LIG    1        1.225  -1.529  -0.009  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        1.602  -2.453   0.146  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.130  -0.550  -0.444  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1        1.730   0.657  -1.035  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1        2.720   1.580  -1.400  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1        4.074   1.362  -1.187  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.702   2.522  -1.690  0.00  0.00    +0.142 A 
ATOM     24  N   LIG    1        3.833   3.406  -2.188  0.00  0.00    -0.181 NA
ATOM     25  C   LIG    1        4.482   0.167  -0.579  0.00  0.00    +0.013 A 
ATOM     26  N   LIG    1        2.642   2.809  -2.001  0.00  0.00    -0.277 N 
ATOM     27  H   LIG    1        1.807   3.293  -2.307  0.00  0.00    +0.189 HD
ATOM     28  C   LIG    1        3.501  -0.768  -0.214  0.00  0.00    +0.024 A 
ENDBRANCH  17  19
ENDBRANCH   7  17
TORSDOF 5