REMARK  Name = BDB034078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.579  -0.831   1.537  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.334  -1.945   0.600  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1        0.582  -2.367   0.714  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -0.861  -2.018  -0.665  0.00  0.00    +0.211 C 
ATOM      5  O   LIG    1       -1.758  -1.281  -1.063  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.250  -3.085  -1.532  0.00  0.00    +0.109 C 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      7  N   LIG    1       -3.040  -0.946   1.287  0.00  0.00    -0.309 N 
ATOM      8  H   LIG    1       -2.821  -1.047   0.294  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -1.990  -0.800   2.160  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1       -2.151  -0.529   3.351  0.00  0.00    -0.274 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -4.443  -0.833   1.672  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.037   0.547   1.258  0.00  0.00    +0.007 C 
ATOM     13  C   LIG    1       -4.551   1.635   2.234  0.00  0.00    +0.009 C 
BRANCH  12  15
ATOM     14  C   LIG    1       -5.254   0.143  -1.294  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -4.732   1.030  -0.178  0.00  0.00    +0.002 C 
ENDBRANCH  12  15
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  C   LIG    1       -5.225  -2.080   1.178  0.00  0.00    +0.100 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -6.625  -2.147   1.598  0.00  0.00    -0.328 NA
ATOM     18  H   LIG    1       -7.151  -1.373   1.197  0.00  0.00    +0.118 HD
ATOM     19  H   LIG    1       -6.681  -2.038   2.611  0.00  0.00    +0.118 HD
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  C   LIG    1       -0.256   0.557   0.964  0.00  0.00    +0.094 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.174   0.676   0.522  0.00  0.00    +0.082 A 
ATOM     22  S   LIG    1        1.653   2.019  -0.438  0.00  0.00    -0.072 S 
ATOM     23  C   LIG    1        3.265   1.418  -0.478  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        3.326   0.231   0.252  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        4.563  -0.432   0.362  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1        5.698   0.101  -0.263  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        5.629   1.291  -0.999  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1        4.398   1.963  -1.108  0.00  0.00    +0.021 A 
ATOM     29  N   LIG    1        2.128  -0.184   0.811  0.00  0.00    -0.244 NA
BRANCH  27  30
ATOM     30  C   LIG    1        6.859   1.876  -1.676  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1        7.418   0.930  -2.742  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1        7.937   2.252  -0.657  0.00  0.00    +0.012 C 
ENDBRANCH  27  30
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 10