REMARK  Name = BDB018367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.396   1.249   0.251  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        0.811   1.188  -0.408  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1        1.775   1.326   0.553  0.00  0.00    -0.267 N 
ATOM      4  N   LIG    1        1.269   1.560   1.785  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.052   1.491   1.599  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.143  -0.056  -1.091  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -1.702   1.123  -0.326  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.595   2.121  -0.157  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.875   2.083  -0.681  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.752   3.222  -0.452  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.334   1.013  -1.435  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1       -5.452   0.928  -1.935  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.375  -0.099  -1.625  0.00  0.00    +0.085 A 
BRANCH   6  14
ATOM     14  S   LIG    1       -1.088  -1.424  -1.359  0.00  0.00    -0.125 S 
BRANCH  14  16
ATOM     15  C   LIG    1       -1.231  -2.222   1.298  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1       -1.696  -2.588  -0.100  0.00  0.00    +0.071 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        3.216   1.282   0.349  0.00  0.00    +0.178 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.711  -0.136   0.204  0.00  0.00    -0.026 A 
ATOM     19  C   LIG    1        4.129  -0.626  -1.042  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        4.577  -1.942  -1.170  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.611  -2.780  -0.057  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.195  -2.306   1.185  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.747  -0.991   1.316  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5