REMARK  Name = BDB026373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.717  -1.196  -0.460  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        1.154   0.027  -0.984  0.00  0.00    +0.116 C 
ATOM      3  C   LIG    1       -0.182  -0.625  -0.850  0.00  0.00    +0.033 C 
ATOM      4  C   LIG    1       -1.220  -0.432  -1.907  0.00  0.00    +0.119 C 
ATOM      5  N   LIG    1       -2.149  -0.182  -0.802  0.00  0.00    -0.299 N 
ATOM      6  C   LIG    1       -3.352   0.482  -0.878  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -3.881   0.721  -1.962  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.117  -0.176   0.235  0.00  0.00    +0.119 C 
ATOM      9  C   LIG    1        0.503  -1.947  -0.714  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.954   0.880   0.483  0.00  0.00    +0.150 C 
ATOM     11  C   LIG    1       -4.410  -0.340   1.287  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -4.623   0.124   2.721  0.00  0.00    +0.255 C 
ATOM     13  C   LIG    1       -5.815   1.071   2.644  0.00  0.00    +0.094 C 
ATOM     14  C   LIG    1       -6.210   0.937   1.165  0.00  0.00    +0.060 C 
ATOM     15  F   LIG    1       -3.526   0.714   3.233  0.00  0.00    -0.205 F 
ATOM     16  F   LIG    1       -4.918  -0.932   3.515  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -5.859  -0.508   0.836  0.00  0.00    +0.030 C 
ATOM     18  N   LIG    1       -5.222   1.646   0.335  0.00  0.00    -0.302 NA
ATOM     19  H   LIG    1       -5.101   2.619   0.611  0.00  0.00    +0.123 HD
ENDBRANCH   6  10
BRANCH   1  21
ATOM     20  C   LIG    1        3.427  -2.996  -0.311  0.00  0.00    +0.091 A 
ATOM     21  C   LIG    1        3.070  -1.639  -0.520  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        4.169  -0.743  -0.750  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        5.453  -1.284  -0.798  0.00  0.00    +0.110 A 
ATOM     24  S   LIG    1        6.672  -0.130  -1.089  0.00  0.00    -0.073 S 
ATOM     25  C   LIG    1        5.547   1.148  -1.140  0.00  0.00    +0.001 A 
ATOM     26  N   LIG    1        5.798  -2.574  -0.641  0.00  0.00    -0.246 NA
ATOM     27  C   LIG    1        4.260   0.685  -0.947  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        4.759  -3.384  -0.389  0.00  0.00    +0.132 A 
BRANCH  20  30
ATOM     29  N   LIG    1        1.754  -4.895   0.243  0.00  0.00    -0.191 NA
ATOM     30  C   LIG    1        2.490  -4.030   0.000  0.00  0.00    +0.103 C 
ENDBRANCH  20  30
BRANCH  25  31
ATOM     31  C   LIG    1        6.007   2.560  -1.378  0.00  0.00    +0.155 C 
BRANCH  31  32
ATOM     32  C   LIG    1        6.012   3.405  -0.117  0.00  0.00    +0.394 C 
ATOM     33  F   LIG    1        6.431   4.662  -0.399  0.00  0.00    -0.170 F 
ATOM     34  F   LIG    1        6.836   2.907   0.829  0.00  0.00    -0.170 F 
ATOM     35  F   LIG    1        4.773   3.509   0.416  0.00  0.00    -0.170 F 
ENDBRANCH  31  32
ENDBRANCH  25  31
ENDBRANCH   1  21
TORSDOF 5