REMARK  Name = BDB000835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.361   0.603  -0.837  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1        2.624   1.499  -1.531  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        1.301   1.254  -1.694  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        0.644   0.138  -1.195  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        1.418  -0.779  -0.488  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.782  -0.543  -0.305  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        4.703   0.942  -0.719  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1        4.869   1.822  -1.190  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1        7.926  -0.267   0.756  0.00  0.00    +0.110 A 
ATOM     10  S   LIG    1        7.293   1.031  -0.153  0.00  0.00    -0.042 S 
ATOM     11  C   LIG    1        5.719   0.308  -0.106  0.00  0.00    +0.165 A 
ATOM     12  N   LIG    1        5.675  -0.832   0.549  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1        6.923  -1.163   1.040  0.00  0.00    +0.139 A 
BRANCH   9  15
ATOM     14  N   LIG    1       10.392  -0.504   1.483  0.00  0.00    -0.190 NA
ATOM     15  C   LIG    1        9.286  -0.391   1.153  0.00  0.00    +0.108 C 
ENDBRANCH   9  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1       -0.826  -0.081  -1.439  0.00  0.00    +0.121 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.663   1.051  -1.014  0.00  0.00    -0.296 NA
ATOM     18  C   LIG    1       -1.702   1.219   0.456  0.00  0.00    +0.100 C 
ATOM     19  C   LIG    1       -2.525   0.150   1.212  0.00  0.00    +0.100 C 
ATOM     20  N   LIG    1       -3.908   0.031   0.703  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1       -3.889  -0.172  -0.761  0.00  0.00    +0.100 C 
ATOM     22  C   LIG    1       -3.052   0.902  -1.498  0.00  0.00    +0.100 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.618  -1.059   1.408  0.00  0.00    +0.112 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.133  -1.018   1.159  0.00  0.00    +0.171 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -6.629   0.297   1.403  0.00  0.00    -0.394 OA
ATOM     26  H   LIG    1       -5.898   0.894   1.140  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8