REMARK  Name = BDB003543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.109  -0.204  -0.206  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -2.627   1.094  -0.432  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.251   1.346  -0.577  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.347   0.295  -0.451  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.816  -1.011  -0.239  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.185  -1.251  -0.113  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.467  -0.390  -1.125  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.553  -0.450  -0.051  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -5.054  -0.736   1.237  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -6.420  -0.947   1.458  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -7.313  -0.875   0.393  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.840  -0.598  -0.891  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -4.638  -1.735  -3.356  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1       -4.966  -0.040  -2.815  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -0.755   3.024  -0.877  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -1.363   3.818   0.179  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        0.675   3.099  -1.107  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -1.536   3.438  -2.421  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        1.112   0.457  -0.516  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        1.779   0.857   0.634  0.00  0.00    -0.298 N 
ATOM     21  C   LIG    1        1.134   1.167   1.907  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        1.651   0.174  -1.579  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.209   1.155   0.542  0.00  0.00    +0.148 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.129  -0.017   0.960  0.00  0.00    +0.127 C 
ATOM     25  C   LIG    1        4.025  -1.224   0.011  0.00  0.00    +0.042 C 
ATOM     26  C   LIG    1        5.026  -2.329   0.354  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1        6.453  -1.799   0.467  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        6.541  -0.645   1.458  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1        5.578   0.482   1.090  0.00  0.00    +0.042 C 
ATOM     30  F   LIG    1        3.740  -0.441   2.205  0.00  0.00    -0.240 F 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6