REMARK  Name = BDB058921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.385   0.225  -0.472  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.476  -0.020  -1.473  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1        2.674  -0.165  -1.892  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.842   0.095  -0.703  0.00  0.00    +0.259 C 
ATOM      5  N   LIG    1        1.793   0.460   0.126  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        1.856   0.238   1.121  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        4.185  -0.016  -0.071  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.510   0.658   1.114  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        5.787   0.520   1.665  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        6.732  -0.280   1.031  0.00  0.00    +0.117 A 
ATOM     11  C   LIG    1        6.428  -0.945  -0.152  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        5.153  -0.808  -0.706  0.00  0.00    +0.016 A 
BRANCH  10  13
ATOM     13  O   LIG    1        7.962  -0.382   1.608  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1        8.517  -0.964   1.063  0.00  0.00    +0.292 HD
ENDBRANCH  10  13
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  S   LIG    1       -0.479  -1.032   0.308  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1       -0.510  -2.157  -0.599  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1        0.057  -1.145   1.651  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -2.100  -0.326   0.406  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -3.071  -0.685  -0.534  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -4.363  -0.145  -0.450  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -4.674   0.757   0.596  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -5.968   1.294   0.675  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -6.943   0.949  -0.262  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.637   0.061  -1.290  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.686   1.094   1.536  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -5.355  -0.483  -1.383  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -2.402   0.552   1.447  0.00  0.00    +0.029 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5