REMARK  Name = BDB000792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.201   0.247   0.204  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1       -0.094   0.423   1.040  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.206   0.236   0.549  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.436  -0.129  -0.781  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.312  -0.302  -1.609  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.990  -0.118  -1.128  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.559   0.458   0.775  0.00  0.00    +0.339 C 
ATOM      8  O   LIG    1       -2.761   0.772   1.937  0.00  0.00    -0.245 OA
BRANCH   7   9
ATOM      9  O   LIG    1       -3.510   0.247  -0.170  0.00  0.00    -0.461 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -5.397  -0.868   0.860  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1       -4.867   0.423   0.263  0.00  0.00    +0.229 C 
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  12
ATOM     12  N   LIG    1        2.711  -0.333  -1.339  0.00  0.00    -0.294 N 
ATOM     13  H   LIG    1        2.701  -0.593  -2.316  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.933  -0.231  -0.762  0.00  0.00    +0.163 A 
ATOM     15  S   LIG    1        5.330  -0.553  -1.744  0.00  0.00    -0.045 S 
ATOM     16  C   LIG    1        6.327  -0.239  -0.412  0.00  0.00    +0.076 A 
ATOM     17 BR   LIG    1        8.228  -0.331  -0.449  0.00  0.00    -0.041 Br
ATOM     18  C   LIG    1        5.583   0.087   0.690  0.00  0.00    +0.136 A 
ATOM     19  N   LIG    1        4.216   0.090   0.483  0.00  0.00    -0.232 NA
ENDBRANCH  12  14
ENDBRANCH   4  12
TORSDOF 5