REMARK  Name = BDB046215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.526   0.176  -1.012  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1        2.165   0.140  -2.234  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1        1.587   0.142  -3.594  0.00  0.00    +0.069 C 
ATOM      4  N   LIG    1        3.526   0.089  -2.039  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        3.670   0.087  -0.728  0.00  0.00    +0.228 A 
ATOM      6  O   LIG    1        2.486   0.148  -0.038  0.00  0.00    -0.439 OA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.896   0.038   0.065  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        4.875   0.027   1.467  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        6.066  -0.020   2.201  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        7.306  -0.065   1.548  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        7.331  -0.047   0.146  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.138   0.001  -0.584  0.00  0.00    +0.014 A 
BRANCH  10  13
ATOM     13  C   LIG    1        8.591  -0.094   2.340  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        9.049   1.156   2.627  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        9.608  -0.725   1.689  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.466  -0.730   3.538  0.00  0.00    -0.166 F 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.115   0.250  -0.575  0.00  0.00    +0.150 C 
BRANCH  17  18
ATOM     18  S   LIG    1       -0.695  -1.375  -0.735  0.00  0.00    -0.117 S 
BRANCH  18  24
ATOM     19  C   LIG    1       -5.778  -0.582  -1.839  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -4.684  -0.571  -0.806  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -4.958  -0.216   0.527  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -3.924  -0.226   1.467  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -2.625  -0.578   1.087  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1       -2.343  -0.919  -0.236  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -3.376  -0.926  -1.175  0.00  0.00    +0.021 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -6.261   0.111   0.795  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.581   0.513   2.120  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -8.049   0.871   2.247  0.00  0.00    +0.343 C 
ATOM     29  O   LIG    1       -8.733   0.716   3.248  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -8.575   1.464   1.157  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1       -9.509   1.634   1.396  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9