REMARK  Name = BDB059171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103   2.832   0.269  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        0.690   1.762   0.139  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.248   0.581   0.635  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.993   0.450   1.236  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -1.744   1.611   1.305  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -1.303   2.807   0.852  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.209  -0.524   0.452  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        1.690  -1.273   1.537  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        2.588  -2.325   1.345  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1        3.076  -2.596   0.062  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1        2.614  -1.864  -1.044  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1        1.689  -0.834  -0.837  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1        2.974  -2.979   2.486  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1        2.880  -4.399   2.385  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1        3.996  -3.600  -0.132  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1        5.317  -3.064  -0.043  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1        3.129  -2.221  -2.264  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1        2.695  -1.488  -3.401  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1       -1.473  -0.801   1.729  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -1.846  -1.815   2.154  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  S   LIG    1        0.519   4.357  -0.379  0.00  0.00    -0.073 S 
BRANCH  21  22
ATOM     22  C   LIG    1       -0.954   5.402  -0.185  0.00  0.00    +0.165 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -0.521   7.861  -1.139  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -0.714   6.755  -0.711  0.00  0.00    -0.094 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  S   LIG    1       -3.377   1.676   2.028  0.00  0.00    -0.049 S 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.366   0.951   0.729  0.00  0.00    +0.103 A 
ATOM     27  N   LIG    1       -3.733   0.420  -0.344  0.00  0.00    -0.248 NA
ATOM     28  C   LIG    1       -4.505  -0.138  -1.304  0.00  0.00    +0.112 A 
ATOM     29  C   LIG    1       -5.887  -0.191  -1.247  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -6.519   0.359  -0.140  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.749   0.938   0.866  0.00  0.00    +0.035 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 10