REMARK  Name = BDB059162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.813   2.668  -0.117  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -0.208   1.892   0.264  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.349   0.688  -0.341  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        0.536   0.238  -1.307  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        1.568   1.109  -1.618  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        1.701   2.333  -1.056  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.514  -0.076   0.144  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.646  -0.363   1.517  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -2.749  -1.068   2.013  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -3.747  -1.488   1.118  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -3.616  -1.243  -0.254  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -2.525  -0.512  -0.727  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -2.950  -1.378   3.334  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -1.944  -0.992   4.260  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1       -4.842  -2.166   1.599  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -5.861  -1.234   1.963  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1       -4.529  -1.613  -1.208  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -4.891  -2.992  -1.142  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        0.404  -1.040  -1.929  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        0.278  -2.062  -2.464  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  S   LIG    1        0.949   4.243   0.680  0.00  0.00    -0.073 S 
BRANCH  21  22
ATOM     22  C   LIG    1        2.667   4.650   0.255  0.00  0.00    +0.165 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.433   6.933   1.414  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        3.086   5.907   0.894  0.00  0.00    -0.094 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  S   LIG    1        2.836   0.731  -2.824  0.00  0.00    -0.031 S 
BRANCH  25  26
ATOM     26  C   LIG    1        3.762  -0.388  -1.872  0.00  0.00    +0.175 A 
ATOM     27  N   LIG    1        4.892  -1.003  -2.341  0.00  0.00    -0.328 N 
ATOM     28  C   LIG    1        5.505  -0.848  -3.639  0.00  0.00    +0.151 C 
ATOM     29  C   LIG    1        5.353  -1.822  -1.344  0.00  0.00    +0.107 A 
ATOM     30  C   LIG    1        4.463  -1.663  -0.308  0.00  0.00    +0.131 A 
ATOM     31  N   LIG    1        3.479  -0.771  -0.645  0.00  0.00    -0.230 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 10