REMARK  Name = BDB022143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.936   0.858  -0.145  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.293   1.245   0.358  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        1.268   0.750  -0.498  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1        0.703  -0.038  -1.469  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1       -0.608   0.082  -1.273  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  10
ATOM      6  N   LIG    1       -5.225  -1.857   1.262  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.780  -2.007   1.534  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -2.847  -1.233   0.583  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -3.177   0.197   0.522  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -2.250   1.221   0.352  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1       -2.528   2.394   0.594  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -4.537   0.554   0.926  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -5.536  -0.570   0.602  0.00  0.00    +0.103 C 
BRANCH   6  15
ATOM     14  C   LIG    1       -7.283  -2.983   0.406  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -5.763  -3.008   0.523  0.00  0.00    +0.081 C 
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   3  16
ATOM     16  C   LIG    1        2.691   0.986  -0.466  0.00  0.00    +0.252 A 
ATOM     17  N   LIG    1        3.457   0.345  -1.372  0.00  0.00    -0.210 NA
ATOM     18  C   LIG    1        4.788   0.576  -1.345  0.00  0.00    +0.086 A 
ATOM     19  C   LIG    1        5.381   1.473  -0.473  0.00  0.00    -0.006 A 
ATOM     20  C   LIG    1        6.839   1.797  -0.438  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        4.512   2.067   0.419  0.00  0.00    +0.120 A 
ATOM     22  N   LIG    1        3.185   1.847   0.447  0.00  0.00    -0.219 NA
BRANCH  18  23
ATOM     23  C   LIG    1        5.508  -0.194  -2.364  0.00  0.00    +0.038 A 
ATOM     24  S   LIG    1        6.773  -1.269  -1.928  0.00  0.00    -0.095 S 
ATOM     25  C   LIG    1        7.024  -1.745  -3.551  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        6.143  -1.129  -4.411  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        5.260  -0.247  -3.725  0.00  0.00    +0.017 A 
ENDBRANCH  18  23
ENDBRANCH   3  16
BRANCH   2  28
ATOM     28  C   LIG    1        0.508   2.112   1.635  0.00  0.00    +0.039 C 
ATOM     29  C   LIG    1       -0.241   1.778   2.902  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        1.229   1.511   2.816  0.00  0.00    +0.010 C 
ENDBRANCH   2  28
TORSDOF 5