REMARK  Name = BDB061113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.883   0.586  -0.027  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.204   1.813  -0.176  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.193   1.898   0.012  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        1.130   2.964  -0.068  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        2.373   2.451   0.218  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        2.229   1.109   0.466  0.00  0.00    -0.347 N 
ATOM      7  C   LIG    1        0.903   0.743   0.346  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        0.267  -0.495   0.494  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -1.121  -0.548   0.301  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -5.568   1.293  -0.107  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1       -6.035   0.150  -0.613  0.00  0.00    -0.206 NA
ATOM     12  C   LIG    1       -5.115  -0.777  -0.890  0.00  0.00    +0.208 A 
ATOM     13  N   LIG    1       -3.788  -0.685  -0.729  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1       -3.345   0.481  -0.215  0.00  0.00    +0.077 A 
ATOM     15  C   LIG    1       -4.221   1.502   0.120  0.00  0.00    +0.072 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.368   3.526  -0.454  0.00  0.00    +0.127 C 
ATOM     17  N   LIG    1       -6.533   2.247   0.219  0.00  0.00    -0.332 N 
ATOM     18  H   LIG    1       -7.419   1.808  -0.042  0.00  0.00    +0.147 HD
ENDBRANCH  10  17
BRANCH  12  19
ATOM     19  S   LIG    1       -5.689  -2.298  -1.616  0.00  0.00    +0.022 S 
ATOM     20  O   LIG    1       -7.350  -2.354  -1.545  0.00  0.00    -0.154 OA
ATOM     21  C   LIG    1       -5.053  -3.405  -0.338  0.00  0.00    +0.115 C 
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  C   LIG    1        3.330   0.219   0.807  0.00  0.00    +0.123 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.908  -0.466  -0.430  0.00  0.00    +0.037 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.996  -1.486  -0.077  0.00  0.00    +0.085 C 
BRANCH  24  25
ATOM     25  N   LIG    1        6.113  -0.927   0.700  0.00  0.00    -0.308 NA
ATOM     26  C   LIG    1        6.965  -2.010   1.202  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1        6.922   0.001  -0.095  0.00  0.00    +0.104 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 7