REMARK  Name = BDB035862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.885   1.613  -0.584  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.088   2.304  -1.447  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        1.309   1.446  -1.828  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        1.864   0.680  -0.648  0.00  0.00    -0.040 C 
ATOM      5  C   LIG    1        1.141   0.575   0.484  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1       -0.226   1.181   0.660  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.197   0.060  -0.781  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        4.136   0.088   0.252  0.00  0.00    +0.119 A 
ATOM      9  N   LIG    1        5.379  -0.450   0.190  0.00  0.00    -0.250 NA
ATOM     10  C   LIG    1        5.733  -1.052  -0.972  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        4.872  -1.129  -2.063  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        3.599  -0.564  -1.964  0.00  0.00    +0.012 A 
BRANCH  10  13
ATOM     13  C   LIG    1        7.093  -1.678  -1.092  0.00  0.00    +0.263 C 
ATOM     14  N   LIG    1        8.061  -1.512  -0.122  0.00  0.00    -0.304 N 
ATOM     15  H   LIG    1        8.948  -1.944  -0.359  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        7.365  -2.358  -2.084  0.00  0.00    -0.269 OA
BRANCH  14  17
ATOM     17  C   LIG    1        8.031  -0.670   1.030  0.00  0.00    +0.110 C 
ATOM     18  C   LIG    1        9.305  -0.118   1.605  0.00  0.00    +0.188 C 
ATOM     19  F   LIG    1       10.484  -0.420   0.947  0.00  0.00    -0.244 F 
ATOM     20  C   LIG    1        8.349   0.799   0.920  0.00  0.00    +0.064 C 
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -1.544   0.500  -1.288  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -7.290  -0.589   1.589  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -7.154   0.887   1.355  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1       -8.029   1.680   1.691  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1       -6.003   1.320   0.748  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1       -5.926   2.316   0.597  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -4.970   0.458   0.363  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1       -5.085  -0.911   0.591  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1       -4.137  -1.811   0.253  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1       -3.025  -1.314  -0.337  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1       -2.809   0.038  -0.604  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1       -3.820   0.940  -0.247  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1       -6.294  -1.419   1.230  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1       -9.729  -1.122   1.302  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -8.547  -1.067   2.261  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6