REMARK  Name = BDB003551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.562   1.257   0.333  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        1.998  -0.007   0.581  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.610  -0.161   0.702  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.223   0.951   0.554  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.332   2.219   0.333  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.715   2.368   0.223  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.693   1.229  -1.033  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.017   1.410   0.195  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1        4.772   1.746   1.335  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        6.157   1.903   1.263  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.812   1.731   0.049  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.084   1.400  -1.094  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1        4.359  -0.898  -2.735  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1        3.826   0.823  -2.552  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -0.082  -1.759   1.027  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -1.127  -1.609   2.017  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -0.334  -2.364  -0.267  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        1.182  -2.715   1.817  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -1.694   0.891   0.633  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -2.413   0.445  -0.478  0.00  0.00    -0.297 N 
ATOM     21  C   LIG    1       -1.804   0.093  -1.758  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -2.188   1.318   1.673  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.888   0.415  -0.449  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -4.520   1.766  -0.119  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.335  -0.671   0.529  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.087  -2.149   0.103  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.436  -2.492   0.763  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -5.850  -1.031   0.501  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6