REMARK  Name = BDB033399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.393  -1.651   1.978  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1        0.586  -2.367   2.678  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.216  -0.492   2.101  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.612   0.251   0.983  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        2.404   1.398   1.083  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.619   1.872  -0.243  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1        1.963   1.022  -1.108  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1        2.802   1.832   2.366  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        2.392   1.112   3.495  0.00  0.00    +0.003 A 
ATOM     10  N   LIG    1        1.361   0.047  -0.357  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1        0.760  -0.693  -0.710  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1        1.607  -0.032   3.362  0.00  0.00    +0.026 A 
BRANCH   6  13
ATOM     13  C   LIG    1        3.369   3.023  -0.637  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1        3.976   3.960  -0.957  0.00  0.00    -0.191 NA
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1       -1.288  -1.389   1.985  0.00  0.00    +0.091 S 
ATOM     16  O   LIG    1       -1.609  -0.308   2.894  0.00  0.00    -0.148 OA
ATOM     17  O   LIG    1       -1.905  -2.692   2.127  0.00  0.00    -0.148 OA
BRANCH  15  22
ATOM     18  C   LIG    1       -1.882  -0.562  -1.721  0.00  0.00    +0.109 A 
ATOM     19  N   LIG    1       -2.989   0.059  -1.193  0.00  0.00    -0.347 N 
ATOM     20  H   LIG    1       -3.701   0.546  -1.722  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1       -2.965  -0.111   0.162  0.00  0.00    +0.133 A 
ATOM     22  C   LIG    1       -1.821  -0.840   0.416  0.00  0.00    +0.215 A 
ATOM     23  N   LIG    1       -1.148  -1.108  -0.771  0.00  0.00    -0.213 NA
BRANCH  18  25
ATOM     24  C   LIG    1       -2.175  -1.826  -3.842  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -1.601  -0.582  -3.185  0.00  0.00    +0.071 C 
ENDBRANCH  18  25
ENDBRANCH  15  22
ENDBRANCH   1  15
TORSDOF 5