REMARK  Name = BDB033806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.175  -0.558   0.287  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.690  -1.422   0.213  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -3.687   3.480  -1.399  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1       -2.739   2.421  -0.951  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -3.066   1.084  -0.916  0.00  0.00    +0.222 A 
ATOM      6  N   LIG    1       -2.229   0.113  -0.505  0.00  0.00    -0.179 NA
ATOM      7  C   LIG    1       -1.000   0.487  -0.121  0.00  0.00    +0.223 A 
ATOM      8  N   LIG    1       -0.584   1.760  -0.128  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1       -1.459   2.698  -0.540  0.00  0.00    +0.123 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -4.353   0.750  -1.291  0.00  0.00    -0.470 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -4.582  -0.652  -1.481  0.00  0.00    +0.203 C 
ATOM     12  C   LIG    1       -5.830  -0.848  -2.357  0.00  0.00    +0.155 C 
ATOM     13  C   LIG    1       -6.981  -0.471  -1.430  0.00  0.00    +0.035 C 
ATOM     14  C   LIG    1       -6.521  -0.900  -0.037  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1       -5.044  -1.293  -0.171  0.00  0.00    +0.047 C 
BRANCH  12  16
ATOM     16  O   LIG    1       -5.814  -0.065  -3.538  0.00  0.00    -0.388 OA
ATOM     17  H   LIG    1       -6.699  -0.115  -3.936  0.00  0.00    +0.210 HD
ENDBRANCH  12  16
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  C   LIG    1        1.130  -0.633   0.785  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        1.663  -1.903   1.073  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.964  -2.057   1.564  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        3.754  -0.928   1.767  0.00  0.00    +0.105 A 
ATOM     22  C   LIG    1        3.251   0.344   1.495  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        1.948   0.482   1.003  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  S   LIG    1        5.403  -1.090   2.397  0.00  0.00    +0.059 S 
ATOM     25  O   LIG    1        5.574  -0.104   3.441  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        5.676  -2.495   2.614  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        6.317  -0.649   1.028  0.00  0.00    -0.187 NA
ATOM     28  H   LIG    1        6.581  -1.510   0.545  0.00  0.00    +0.148 HD
BRANCH  27  29
ATOM     29  C   LIG    1        7.483   0.198   1.322  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1        8.818  -0.397   1.665  0.00  0.00    +0.022 C 
ATOM     31  C   LIG    1        8.620   0.290   0.344  0.00  0.00    +0.022 C 
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8