REMARK  Name = BDB015575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.307  -0.929   0.522  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.523  -1.958   0.197  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.791  -1.719   0.288  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.344  -0.572   0.711  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.507   0.432   1.039  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.861   0.282   0.988  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.161   1.687   1.492  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.612   2.886   1.211  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.196   4.082   1.606  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.528   5.327   1.262  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.399   4.131   2.308  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.953   5.156   2.692  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.030   2.817   2.589  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.437   1.683   2.196  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.680  -1.278   0.431  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.695  -2.252   0.116  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.587  -0.344  -0.655  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.353  -0.894  -1.970  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.371   1.057  -0.362  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.238  -0.781  -0.132  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.333  -0.314  -1.089  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.990   1.862  -2.363  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.553   1.202  -1.112  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -1.605  -2.800  -0.001  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.897  -2.634  -0.355  0.00  0.00    +0.175 A 
ATOM     26  C   LIG    1       -3.886  -3.510   0.036  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1       -3.843  -4.721   0.889  0.00  0.00    +0.069 C 
ATOM     28  N   LIG    1       -5.034  -3.027  -0.538  0.00  0.00    -0.268 N 
ATOM     29  C   LIG    1       -6.365  -3.576  -0.421  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -4.840  -1.937  -1.302  0.00  0.00    -0.173 NA
ATOM     31  C   LIG    1       -3.525  -1.694  -1.209  0.00  0.00    +0.102 A 
ATOM     32  C   LIG    1       -2.939  -0.572  -1.983  0.00  0.00    +0.071 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8