REMARK  Name = BDB031084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.442   0.474  -2.012  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        2.591  -0.178  -0.978  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.679   0.602  -0.353  0.00  0.00    +0.105 A 
ATOM      4  N   LIG    1        1.535   1.951  -0.674  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        2.328   2.577  -1.628  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1        2.048   3.856  -1.741  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1        1.036   4.076  -0.848  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1        0.679   2.922  -0.169  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1        3.295   1.786  -2.303  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -0.343   2.722   0.848  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -1.002   1.544   0.778  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1       -1.980   1.308   1.671  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -2.316   2.221   2.662  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -1.636   3.433   2.723  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -0.634   3.695   1.796  0.00  0.00    +0.030 A 
BRANCH  12  16
ATOM     16  N   LIG    1       -2.611   0.070   1.547  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.128  -0.372   0.763  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -4.064   0.144   1.306  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -4.695  -1.251   1.378  0.00  0.00    +0.201 C 
ATOM     20  F   LIG    1       -5.878  -1.161   2.060  0.00  0.00    -0.242 F 
ATOM     21  C   LIG    1       -5.001  -1.609  -0.067  0.00  0.00    +0.119 C 
ATOM     22  N   LIG    1       -5.359  -0.330  -0.704  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1       -6.297  -0.076  -0.382  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.400   0.628  -0.122  0.00  0.00    +0.106 C 
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   2  25
ATOM     25  C   LIG    1        2.709  -1.572  -0.645  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        2.562  -2.129   0.609  0.00  0.00    +0.122 A 
ATOM     27  N   LIG    1        2.744  -3.480   0.459  0.00  0.00    -0.211 N 
ATOM     28  N   LIG    1        2.983  -3.841  -0.826  0.00  0.00    -0.174 NA
ATOM     29  C   LIG    1        2.967  -2.677  -1.486  0.00  0.00    +0.143 A 
BRANCH  27  30
ATOM     30  C   LIG    1        2.682  -4.477   1.520  0.00  0.00    +0.464 C 
ATOM     31  F   LIG    1        1.420  -4.581   2.021  0.00  0.00    -0.183 F 
ATOM     32  F   LIG    1        3.484  -4.133   2.566  0.00  0.00    -0.183 F 
ENDBRANCH  27  30
ENDBRANCH   2  25
BRANCH   1  34
ATOM     33  C   LIG    1        5.256   0.169  -3.564  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        4.370  -0.368  -2.589  0.00  0.00    -0.494 OA
ENDBRANCH   1  34
TORSDOF 6