REMARK  Name = BDB002902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.676   0.393  -0.546  0.00  0.00    -0.128 NA
ATOM      2  C   LIG    1       -0.429   0.481  -1.213  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1       -0.359   0.298  -2.690  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.514   0.308  -3.469  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.431   0.128  -4.858  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.192  -0.062  -5.469  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.966  -0.073  -4.696  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.836   0.508  -2.855  0.00  0.00    +0.208 C 
ATOM      9  O   LIG    1       -3.858   0.519  -3.538  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1       -2.920   0.713  -1.373  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1        0.885   0.105  -3.313  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -1.787   0.741  -0.658  0.00  0.00    +0.057 C 
ENDROOT
BRANCH   1  13
ATOM     13  S   LIG    1        0.741   0.539   1.063  0.00  0.00    +0.099 S 
ATOM     14  O   LIG    1        0.460   1.915   1.422  0.00  0.00    -0.146 OA
ATOM     15  O   LIG    1       -0.015  -0.541   1.670  0.00  0.00    -0.146 OA
BRANCH  13  19
ATOM     16  C   LIG    1        5.142  -0.265   2.017  0.00  0.00    -0.048 A 
ATOM     17  C   LIG    1        4.663   1.052   1.955  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        3.322   1.305   1.663  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        2.458   0.234   1.422  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        2.918  -1.083   1.482  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        4.261  -1.329   1.775  0.00  0.00    +0.005 A 
BRANCH  16  23
ATOM     22  C   LIG    1        7.435  -0.580   1.051  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        6.596  -0.533   2.318  0.00  0.00    +0.032 C 
ENDBRANCH  16  23
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH  10  24
ATOM     24  N   LIG    1       -4.205   0.937  -0.906  0.00  0.00    -0.311 N 
ATOM     25  H   LIG    1       -4.882   0.985  -1.674  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.802   0.577   0.318  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -6.048   1.145   0.631  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -6.684   0.873   1.846  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -6.072   0.036   2.766  0.00  0.00    +0.117 A 
ATOM     30  C   LIG    1       -4.837  -0.535   2.489  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1       -4.206  -0.260   1.269  0.00  0.00    +0.027 A 
BRANCH  29  32
ATOM     32  O   LIG    1       -6.720  -0.203   3.941  0.00  0.00    -0.507 OA
ATOM     33  H   LIG    1       -6.162  -0.780   4.488  0.00  0.00    +0.292 HD
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  10  24
TORSDOF 6