REMARK  Name = BDB031095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.945   0.303   2.224  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.060   0.422   1.209  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.867   1.399   1.272  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -0.904   2.295   2.337  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.006   2.160   3.382  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.946   1.140   3.331  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        3.136  -1.231  -1.387  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        2.435  -0.665  -0.385  0.00  0.00    +0.102 A 
ATOM      9  N   LIG    1        2.507  -1.192   0.910  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        3.312  -2.286   1.231  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        3.259  -2.574   2.512  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        2.390  -1.661   3.045  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        4.047  -2.892   0.175  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        1.892  -0.793   2.088  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        3.965  -2.395  -1.074  0.00  0.00    +0.014 A 
BRANCH   7  17
ATOM     16  F   LIG    1        4.372  -0.434  -3.231  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        3.116  -0.735  -2.803  0.00  0.00    +0.373 C 
ATOM     18  F   LIG    1        2.648  -1.695  -3.646  0.00  0.00    -0.204 F 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  19
ATOM     19  N   LIG    1       -1.781   1.578   0.225  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -2.719   1.694   0.607  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.816   0.498  -0.767  0.00  0.00    +0.093 C 
ATOM     22  C   LIG    1       -2.725   0.929  -1.902  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -2.612   2.306  -2.534  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -2.160   1.101  -3.302  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -4.074   0.272  -1.728  0.00  0.00    +0.089 C 
ATOM     26  N   LIG    1       -3.992  -0.358  -0.404  0.00  0.00    -0.314 NA
ATOM     27  H   LIG    1       -4.583  -1.187  -0.372  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -2.574  -0.736  -0.241  0.00  0.00    +0.103 C 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 4