REMARK  Name = BDB033941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.261   1.469   1.276  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.003   3.822   1.201  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.328   2.815   1.864  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        0.480   3.108   2.340  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        2.748   3.619   0.250  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        2.500   6.290   1.071  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        1.733   5.194   1.788  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.087   1.402   0.524  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -0.130   0.489  -0.503  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1        0.644  -0.173  -0.568  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -1.045   2.100   0.855  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -1.298   0.235  -1.357  0.00  0.00    +0.090 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.500  -0.358  -0.558  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1       -3.734  -0.637  -1.429  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -3.466  -1.730  -2.464  0.00  0.00    +0.160 C 
ATOM     16  O   LIG    1       -2.398  -2.600  -2.082  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -2.426  -2.918  -0.695  0.00  0.00    +0.160 C 
ATOM     18  C   LIG    1       -2.132  -1.680   0.152  0.00  0.00    +0.033 C 
ENDBRANCH  12  13
BRANCH  12  19
ATOM     19  C   LIG    1       -1.679   1.502  -2.175  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -0.529   2.118  -2.853  0.00  0.00    -0.328 NA
ATOM     21  H   LIG    1        0.130   2.423  -2.133  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1       -0.028   1.404  -3.379  0.00  0.00    +0.118 HD
ENDBRANCH  19  20
ENDBRANCH  12  19
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  23
ATOM     23  C   LIG    1        1.323   0.400   2.370  0.00  0.00    +0.094 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.543  -0.986   1.836  0.00  0.00    +0.082 A 
ATOM     25  S   LIG    1        1.527  -2.321   2.918  0.00  0.00    -0.072 S 
ATOM     26  C   LIG    1        1.785  -3.399   1.600  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        1.875  -2.658   0.420  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1        2.079  -3.339  -0.797  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        2.188  -4.735  -0.801  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        2.097  -5.447   0.390  0.00  0.00    +0.042 A 
ATOM     31 CL   LIG    1        2.231  -7.163   0.362  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        1.895  -4.799   1.611  0.00  0.00    +0.037 A 
ATOM     33  N   LIG    1        1.738  -1.287   0.569  0.00  0.00    -0.244 NA
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 9