REMARK  Name = BDB026372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.929   2.142   0.509  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        1.196   1.536  -0.595  0.00  0.00    +0.116 C 
ATOM      3  C   LIG    1        0.026   1.470   0.334  0.00  0.00    +0.033 C 
ATOM      4  C   LIG    1       -1.106   2.436   0.149  0.00  0.00    +0.119 C 
ATOM      5  N   LIG    1       -1.924   1.248  -0.114  0.00  0.00    -0.299 N 
ATOM      6  C   LIG    1       -3.292   1.159  -0.051  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -4.020   2.153  -0.044  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -0.892   0.292   0.285  0.00  0.00    +0.119 C 
ATOM      9  C   LIG    1        0.966   1.645   1.480  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        4.139   3.148   0.693  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1        3.339   1.987   0.670  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        4.012   0.738   0.808  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.397   0.771   0.948  0.00  0.00    +0.110 A 
ATOM     14  S   LIG    1        6.092  -0.777   1.093  0.00  0.00    -0.073 S 
ATOM     15  C   LIG    1        4.574  -1.550   0.976  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1        6.182   1.865   0.974  0.00  0.00    -0.246 NA
ATOM     17  C   LIG    1        3.554  -0.628   0.836  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        5.511   3.026   0.843  0.00  0.00    +0.132 A 
BRANCH  10  20
ATOM     19  N   LIG    1        3.156   5.535   0.462  0.00  0.00    -0.191 NA
ATOM     20  C   LIG    1        3.576   4.457   0.563  0.00  0.00    +0.103 C 
ENDBRANCH  10  20
BRANCH  15  21
ATOM     21  C   LIG    1        4.476  -3.049   1.038  0.00  0.00    +0.155 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.170  -3.679  -0.309  0.00  0.00    +0.394 C 
ATOM     23  F   LIG    1        4.088  -5.025  -0.190  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1        5.125  -3.412  -1.226  0.00  0.00    -0.170 F 
ATOM     25  F   LIG    1        2.985  -3.249  -0.801  0.00  0.00    -0.170 F 
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   1  11
BRANCH   6  26
ATOM     26  C   LIG    1       -3.858  -0.270  -0.029  0.00  0.00    +0.147 C 
ATOM     27  C   LIG    1       -3.751  -0.944  -1.403  0.00  0.00    +0.050 C 
ATOM     28  C   LIG    1       -4.038  -2.436  -1.222  0.00  0.00    +0.173 C 
ATOM     29  C   LIG    1       -5.511  -2.460  -0.802  0.00  0.00    +0.056 C 
ATOM     30  C   LIG    1       -5.909  -0.978  -0.931  0.00  0.00    +0.057 C 
ATOM     31  F   LIG    1       -3.232  -2.972  -0.279  0.00  0.00    -0.245 F 
ATOM     32  C   LIG    1       -5.039  -0.487  -2.081  0.00  0.00    +0.027 C 
ATOM     33  N   LIG    1       -5.335  -0.258   0.223  0.00  0.00    -0.302 NA
ATOM     34  H   LIG    1       -5.632   0.727   0.189  0.00  0.00    +0.123 HD
ENDBRANCH   6  26
TORSDOF 5