REMARK  Name = BDB013525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.797   1.097  -1.642  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -0.939   1.279  -0.549  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.270   1.993  -0.655  0.00  0.00    -0.028 A 
ATOM      4  C   LIG    1        0.608   2.579  -1.888  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        1.860   3.389  -2.075  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -0.256   2.404  -2.982  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.437   1.665  -2.865  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -3.054   0.265  -1.460  0.00  0.00    +0.030 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.920  -1.129  -2.121  0.00  0.00    +0.011 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.704  -1.974  -1.698  0.00  0.00    +0.029 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.588  -2.293  -0.206  0.00  0.00    +0.159 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -3.521  -3.639   0.192  0.00  0.00    +0.193 C 
ATOM     13  O   LIG    1       -2.105  -3.582   0.123  0.00  0.00    -0.383 OA
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
BRANCH   8  14
ATOM     14  C   LIG    1       -4.323   0.962  -1.986  0.00  0.00    +0.128 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.553   2.344  -1.421  0.00  0.00    +0.305 C 
ATOM     16  O   LIG    1       -4.626   3.349  -2.113  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -4.741   2.376  -0.085  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1       -4.684   1.512   0.361  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1        1.142   2.069   0.583  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.569   0.719   1.015  0.00  0.00    -0.169 NA
ATOM     21  S   LIG    1        1.281   0.350   2.634  0.00  0.00    +0.065 S 
ATOM     22  O   LIG    1       -0.160   0.301   2.794  0.00  0.00    -0.153 OA
ATOM     23  O   LIG    1        2.076   1.232   3.459  0.00  0.00    -0.153 OA
ATOM     24  C   LIG    1        1.909  -1.290   2.756  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1        3.276  -1.496   2.578  0.00  0.00    +0.147 A 
ATOM     26  C   LIG    1        3.801  -2.781   2.686  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        2.948  -3.862   2.925  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        1.575  -3.655   3.074  0.00  0.00    +0.002 A 
ATOM     29  O   LIG    1        4.147  -0.467   2.386  0.00  0.00    -0.486 OA
ATOM     30  C   LIG    1        4.093   0.177   1.101  0.00  0.00    +0.186 C 
ATOM     31  C   LIG    1        4.638   1.593   1.280  0.00  0.00    +0.053 C 
ATOM     32  C   LIG    1        1.050  -2.365   2.996  0.00  0.00    +0.032 A 
ATOM     33  C   LIG    1        2.761   0.171   0.320  0.00  0.00    +0.154 C 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 10