REMARK  Name = BDB059188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.649   2.829   1.291  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -1.199   1.772   0.681  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.424   1.072  -0.183  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        0.901   1.398  -0.419  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        1.386   2.482   0.295  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.619   3.214   1.133  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.133  -0.064  -0.807  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.758  -1.028   0.009  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -2.449  -2.109  -0.542  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -2.494  -2.240  -1.939  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -1.904  -1.283  -2.780  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -1.234  -0.199  -2.205  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -3.080  -3.084   0.186  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -3.276  -2.837   1.572  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1       -3.201  -3.284  -2.494  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -2.334  -4.399  -2.699  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1       -2.040  -1.494  -4.128  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -1.388  -0.589  -5.008  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        1.716   0.656  -1.327  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        2.356   0.075  -2.103  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  S   LIG    1       -1.642   3.759   2.421  0.00  0.00    -0.073 S 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.161   3.887   1.435  0.00  0.00    +0.165 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.863   5.418  -0.734  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -2.995   4.729   0.242  0.00  0.00    -0.094 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  S   LIG    1        3.074   3.058   0.171  0.00  0.00    -0.042 S 
BRANCH  25  26
ATOM     26  C   LIG    1        3.814   1.879   1.238  0.00  0.00    +0.141 A 
ATOM     27  S   LIG    1        5.358   2.125   1.934  0.00  0.00    -0.066 S 
ATOM     28  C   LIG    1        5.253   0.592   2.698  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        6.364   0.109   3.560  0.00  0.00    +0.053 C 
ATOM     30  C   LIG    1        4.050  -0.011   2.369  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1        3.566  -1.345   2.815  0.00  0.00    +0.066 C 
ATOM     32  N   LIG    1        3.235   0.736   1.533  0.00  0.00    -0.237 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 10