REMARK  Name = BDB059166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.440   1.766   1.749  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        0.268   1.429   1.196  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.252   0.386   0.333  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        1.402  -0.312  -0.000  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        2.558   0.102   0.641  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        2.594   1.138   1.509  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.084   0.105  -0.225  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.814   1.131  -0.860  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -3.086   0.900  -1.396  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -3.645  -0.383  -1.289  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -2.925  -1.420  -0.686  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -1.671  -1.167  -0.127  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -3.857   1.845  -2.022  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -3.331   3.161  -2.123  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1       -4.896  -0.620  -1.808  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -5.883  -0.406  -0.798  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1       -3.400  -2.698  -0.537  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -3.691  -3.313  -1.793  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        1.410  -1.351  -0.978  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        1.440  -2.183  -1.786  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  S   LIG    1        1.426   3.119   2.889  0.00  0.00    -0.073 S 
BRANCH  21  22
ATOM     22  C   LIG    1        2.971   3.937   2.400  0.00  0.00    +0.165 C 
BRANCH  22  24
ATOM     23  C   LIG    1        2.835   5.026  -0.036  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        2.896   4.535   1.059  0.00  0.00    -0.094 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  S   LIG    1        4.156  -0.657   0.360  0.00  0.00    -0.027 S 
BRANCH  25  26
ATOM     26  C   LIG    1        3.962  -2.035   1.383  0.00  0.00    +0.215 A 
ATOM     27  N   LIG    1        4.963  -2.920   1.659  0.00  0.00    -0.223 N 
ATOM     28  C   LIG    1        6.331  -2.934   1.220  0.00  0.00    +0.177 C 
ATOM     29  N   LIG    1        4.494  -3.888   2.466  0.00  0.00    -0.043 NA
ATOM     30  N   LIG    1        3.219  -3.583   2.670  0.00  0.00    -0.022 NA
ATOM     31  N   LIG    1        2.872  -2.434   1.998  0.00  0.00    -0.101 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 10