REMARK  Name = BDB033986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.263   1.379  -0.055  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -0.513  -1.089  -0.309  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.167   0.002   0.451  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        0.243  -0.141   1.369  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -1.021  -0.975  -1.422  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -0.660  -3.594  -0.487  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -0.252  -2.413   0.378  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -1.717   1.888   0.075  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -2.628   1.148  -0.650  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -2.275   0.339  -1.161  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -2.025   2.892   0.716  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.074   1.371  -0.634  0.00  0.00    +0.090 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.760   0.283   0.239  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -6.196   0.697   0.639  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -7.116  -0.484   0.957  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -6.350  -1.645   1.575  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -5.272  -2.177   0.629  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -4.756  -1.127  -0.365  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
BRANCH  12  19
ATOM     19  C   LIG    1       -4.610   1.518  -2.085  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.993   0.642  -3.090  0.00  0.00    -0.328 NA
ATOM     21  H   LIG    1       -4.059  -0.337  -2.806  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1       -2.994   0.851  -3.132  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        0.690   2.331   0.675  0.00  0.00    +0.094 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.117   1.880   0.575  0.00  0.00    +0.082 A 
ATOM     25  S   LIG    1        3.015   2.133  -0.866  0.00  0.00    -0.072 S 
ATOM     26  C   LIG    1        4.387   1.388  -0.141  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        4.057   0.990   1.156  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1        5.050   0.381   1.948  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1        6.332   0.174   1.424  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        6.649   0.553   0.111  0.00  0.00    -0.044 A 
ATOM     31  C   LIG    1        5.667   1.174  -0.683  0.00  0.00    +0.021 A 
ATOM     32  N   LIG    1        2.751   1.250   1.541  0.00  0.00    -0.244 NA
BRANCH  30  33
ATOM     33  C   LIG    1        8.039   0.329  -0.467  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        9.083   1.199   0.247  0.00  0.00    +0.012 C 
ATOM     35  C   LIG    1        8.441  -1.147  -0.431  0.00  0.00    +0.012 C 
ENDBRANCH  30  33
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 10