REMARK  Name = BDB056051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.645   0.231  -0.697  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        3.035  -1.008  -0.446  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.661  -1.189  -0.634  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.859  -0.133  -1.084  0.00  0.00    -0.037 A 
ATOM      5  C   LIG    1        1.458   1.109  -1.330  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        2.832   1.285  -1.142  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        7.073   0.287   0.925  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        5.697   0.107   0.732  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        5.091   0.420  -0.496  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        5.905   0.920  -1.527  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        7.278   1.101  -1.340  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        7.862   0.785  -0.115  0.00  0.00    +0.019 A 
BRANCH   7  14
ATOM     13  N   LIG    1        8.154  -0.301   3.209  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1        7.669  -0.037   2.187  0.00  0.00    +0.099 C 
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   4  15
ATOM     15  C   LIG    1       -0.626  -0.321  -1.272  0.00  0.00    +0.114 C 
BRANCH  15  16
ATOM     16  S   LIG    1       -1.538   0.056   0.252  0.00  0.00    -0.061 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.160  -0.247  -0.280  0.00  0.00    +0.278 A 
ATOM     18  O   LIG    1       -4.245  -0.101   0.544  0.00  0.00    -0.411 OA
ATOM     19  C   LIG    1       -5.282  -0.439  -0.284  0.00  0.00    +0.249 A 
ATOM     20  N   LIG    1       -4.876  -0.760  -1.496  0.00  0.00    -0.106 NA
ATOM     21  N   LIG    1       -3.502  -0.635  -1.492  0.00  0.00    -0.101 NA
BRANCH  19  22
ATOM     22  C   LIG    1       -6.627  -0.395   0.271  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -7.719  -0.731  -0.535  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -8.989  -0.683   0.013  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -9.239  -0.328   1.290  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1       -8.175  -0.008   2.054  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -6.868  -0.026   1.597  0.00  0.00    +0.033 A 
ENDBRANCH  19  22
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 6