REMARK  Name = BDB034082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.955   1.423   0.488  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1       -3.179   0.409   0.723  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -2.802  -0.344   0.163  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -2.361   1.447   1.113  0.00  0.00    +0.234 C 
ATOM      5  O   LIG    1       -2.699   2.292   1.941  0.00  0.00    -0.274 OA
BRANCH   2   6
ATOM      6  C   LIG    1       -4.528   0.231   1.267  0.00  0.00    +0.089 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -5.474  -0.483   0.255  0.00  0.00    +0.007 C 
ATOM      8  C   LIG    1       -5.594   0.357  -1.027  0.00  0.00    +0.009 C 
BRANCH   7  10
ATOM      9  C   LIG    1       -6.041  -2.642  -1.020  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1       -5.089  -1.945  -0.055  0.00  0.00    +0.002 C 
ENDBRANCH   7  10
ENDBRANCH   6   7
BRANCH   6  11
ATOM     11  C   LIG    1       -4.483  -0.430   2.671  0.00  0.00    +0.100 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -3.577  -1.583   2.764  0.00  0.00    -0.328 NA
ATOM     13  H   LIG    1       -2.625  -1.248   2.636  0.00  0.00    +0.118 HD
ATOM     14  H   LIG    1       -3.615  -1.950   3.715  0.00  0.00    +0.118 HD
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   2   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  N   LIG    1       -0.473   2.799   0.421  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1       -0.381   3.304   1.296  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -0.653   3.549  -0.711  0.00  0.00    +0.326 C 
ATOM     18  O   LIG    1       -1.071   3.128  -1.780  0.00  0.00    -0.280 OA
ENDBRANCH   1  15
BRANCH   1  19
ATOM     19  C   LIG    1       -0.070   0.530   1.362  0.00  0.00    +0.094 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.308   0.361   0.800  0.00  0.00    +0.082 A 
ATOM     21  S   LIG    1        1.591  -0.718  -0.505  0.00  0.00    -0.072 S 
ATOM     22  C   LIG    1        3.264  -0.310  -0.479  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        3.489   0.615   0.540  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1        4.799   1.087   0.746  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        5.842   0.627  -0.068  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        5.609  -0.300  -1.090  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1        4.303  -0.778  -1.302  0.00  0.00    +0.021 A 
ATOM     28  N   LIG    1        2.368   0.982   1.268  0.00  0.00    -0.244 NA
BRANCH  26  29
ATOM     29  C   LIG    1        6.738  -0.801  -1.979  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1        7.367   0.338  -2.785  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1        7.800  -1.550  -1.171  0.00  0.00    +0.012 C 
ENDBRANCH  26  29
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 10