REMARK  Name = BDB059192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.438   1.462   0.231  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -1.178   1.355  -0.206  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.500   0.223   0.101  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -1.078  -0.816   0.813  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -2.397  -0.621   1.188  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -3.079   0.515   0.921  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.885   0.218  -0.405  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        1.990   0.070   0.458  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        3.297   0.071  -0.042  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        3.499   0.233  -1.409  0.00  0.00    +0.139 A 
ATOM     11  O   LIG    1        4.795   0.245  -1.957  0.00  0.00    -0.422 OA
ATOM     12  C   LIG    1        5.915   0.094  -1.151  0.00  0.00    +0.337 A 
ATOM     13  C   LIG    1        5.680  -0.082   0.293  0.00  0.00    +0.092 A 
ATOM     14  O   LIG    1        7.055   0.105  -1.602  0.00  0.00    -0.245 OA
ATOM     15  C   LIG    1        2.433   0.397  -2.286  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        4.454  -0.093   0.825  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        1.132   0.392  -1.781  0.00  0.00    +0.014 A 
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  C   LIG    1       -0.362  -2.011   1.125  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        0.247  -2.957   1.409  0.00  0.00    -0.191 NA
ENDBRANCH   4  18
BRANCH   1  20
ATOM     20  S   LIG    1       -3.348   2.928  -0.158  0.00  0.00    -0.073 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.048   4.166   0.116  0.00  0.00    +0.165 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -1.366   4.396   2.688  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -1.674   4.291   1.532  0.00  0.00    -0.094 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
BRANCH   5  24
ATOM     24  S   LIG    1       -3.340  -1.834   2.103  0.00  0.00    -0.042 S 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.815  -2.846   0.751  0.00  0.00    +0.141 A 
ATOM     26  S   LIG    1       -5.149  -3.922   0.849  0.00  0.00    -0.069 S 
ATOM     27  C   LIG    1       -4.839  -4.434  -0.757  0.00  0.00    +0.067 A 
ATOM     28  C   LIG    1       -3.743  -3.762  -1.253  0.00  0.00    +0.120 A 
ATOM     29  N   LIG    1       -3.156  -2.857  -0.389  0.00  0.00    -0.241 NA
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7