REMARK  Name = BDB033936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.051  -0.097   0.400  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.837   1.230   2.321  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.755   0.014   1.676  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        1.742  -0.812   2.265  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        1.486   2.285   1.804  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        2.526   2.467   4.405  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        2.412   1.118   3.718  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.407  -0.475   0.706  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -1.324  -0.034  -0.223  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -1.012   0.454  -1.054  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.715  -1.174   1.671  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.752  -0.372  -0.134  0.00  0.00    +0.091 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.588   0.715  -0.842  0.00  0.00    +0.058 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.073   0.599  -0.600  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1       -5.918   0.095  -1.599  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -7.290  -0.023  -1.371  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.829   0.361  -0.144  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.998   0.863   0.855  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.626   0.981   0.629  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
BRANCH  12  20
ATOM     20  C   LIG    1       -3.004  -1.794  -0.696  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.533  -1.955  -2.081  0.00  0.00    -0.328 NA
ATOM     22  H   LIG    1       -2.772  -2.897  -2.393  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1       -1.516  -1.916  -2.079  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  12  20
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1        1.637  -1.186  -0.502  0.00  0.00    +0.094 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.035  -0.874  -0.942  0.00  0.00    +0.082 A 
ATOM     26  S   LIG    1        3.320   0.262  -2.198  0.00  0.00    -0.072 S 
ATOM     27  C   LIG    1        5.016   0.006  -2.045  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        5.242  -0.947  -1.050  0.00  0.00    +0.079 A 
ATOM     29  C   LIG    1        6.570  -1.319  -0.754  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        7.629  -0.731  -1.455  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        7.374   0.216  -2.441  0.00  0.00    +0.042 A 
ATOM     32 CL   LIG    1        8.692   0.927  -3.292  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        6.069   0.604  -2.757  0.00  0.00    +0.037 A 
ATOM     34  N   LIG    1        4.106  -1.447  -0.439  0.00  0.00    -0.244 NA
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10