REMARK  Name = BDB015097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.601  -0.701   0.191  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -2.358  -0.049   0.155  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.436  -0.293  -0.869  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -1.757  -1.206  -1.873  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.987  -1.866  -1.850  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.900  -1.619  -0.824  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.730   0.303   1.170  0.00  0.00    +0.096 A 
ATOM      8  C   LIG    1       -4.545  -0.453   1.291  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -4.253  -1.021   2.548  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -5.104  -0.854   3.640  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.272  -0.114   3.500  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.588   0.464   2.271  0.00  0.00    +0.027 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -7.465   2.205  -0.092  0.00  0.00    +0.200 C 
ATOM     14  S   LIG    1       -6.132   1.080  -0.386  0.00  0.00    -0.005 S 
ATOM     15  O   LIG    1       -5.001   1.904  -0.767  0.00  0.00    -0.170 OA
ATOM     16  O   LIG    1       -6.650   0.038  -1.253  0.00  0.00    -0.170 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  O   LIG    1       -0.271   0.417  -0.769  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.693   0.233  -1.807  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.903   1.135  -1.537  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.794   1.111  -2.659  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        3.607   1.576  -2.394  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.635   0.808  -0.208  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.044  -0.596   0.011  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.044  -1.099  -0.945  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.434  -0.536  -0.747  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.853  -0.099   0.524  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.158   0.378   0.699  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.048   0.405  -0.375  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.640  -0.041  -1.630  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.880  -0.077   1.679  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.341  -0.513  -1.816  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.559  -0.806   1.377  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8