REMARK  Name = BDB006883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.720  -0.544  -0.298  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.100  -0.527  -1.423  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -1.468  -0.197  -1.435  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.007  -0.386  -2.712  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1       -3.350  -0.130  -2.969  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -4.157   0.325  -1.926  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -3.606   0.516  -0.649  0.00  0.00    +0.090 A 
ATOM      8  C   LIG    1       -0.966  -0.906  -3.675  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1       -1.277  -2.352  -4.080  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -0.832  -0.019  -4.916  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -2.254   0.266  -0.393  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        0.314  -0.842  -2.802  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.304  -0.356   0.847  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  S   LIG    1       -4.639   1.093   0.681  0.00  0.00    -0.003 S 
ATOM     15  O   LIG    1       -6.005   1.095   0.189  0.00  0.00    -0.169 OA
ATOM     16  O   LIG    1       -4.024   2.307   1.179  0.00  0.00    -0.169 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -4.502  -0.195   1.914  0.00  0.00    +0.174 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.516  -0.056   3.058  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -5.219   1.145   3.958  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -5.518  -1.336   3.898  0.00  0.00    +0.009 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   7  14
BRANCH   1  21
ATOM     21  C   LIG    1        2.209  -0.855  -0.587  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1        3.265   0.868   0.815  0.00  0.00    +0.097 C 
ATOM     23  N   LIG    1        3.068  -0.590   0.583  0.00  0.00    -0.286 NA
ATOM     24  C   LIG    1        4.353  -1.308   0.528  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        5.505  -0.666  -0.294  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1        5.395  -0.929  -1.797  0.00  0.00    +0.025 C 
ATOM     27  N   LIG    1        5.678   0.774  -0.031  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1        6.053   0.885   0.912  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        4.386   1.485  -0.071  0.00  0.00    +0.102 C 
BRANCH  22  30
ATOM     30  C   LIG    1        3.507   1.132   2.321  0.00  0.00    +0.179 C 
BRANCH  30  32
ATOM     31  C   LIG    1        3.696   2.825   3.953  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1        3.576   2.541   2.565  0.00  0.00    -0.381 OA
ENDBRANCH  30  32
ENDBRANCH  22  30
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7