REMARK  Name = BDB015553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.085  -0.824   0.910  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.646  -2.009   0.480  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.668  -2.072   0.238  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.535  -1.058   0.391  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.042   0.111   0.845  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.290   0.268   1.153  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.039   1.195   1.030  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.715   2.474   0.756  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.620   3.517   0.904  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.179   4.866   0.588  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.930   3.314   1.332  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.769   4.196   1.488  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.303   1.903   1.609  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.404   0.923   1.458  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.477  -0.857   1.189  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.776  -1.814   0.981  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.416   0.215   0.273  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.676  -0.444  -0.987  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.830   1.536   0.338  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.913   0.219   1.247  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.929   1.274   0.815  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.063   1.886  -1.651  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.596   0.998  -0.536  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       -1.117  -3.306  -0.220  0.00  0.00    -0.422 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.479  -3.430  -0.375  0.00  0.00    +0.153 A 
ATOM     26  C   LIG    1       -3.295  -3.753   0.718  0.00  0.00    +0.084 A 
ATOM     27 CL   LIG    1       -2.643  -3.994   2.299  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -4.672  -3.896   0.541  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -5.232  -3.728  -0.725  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -4.417  -3.428  -1.819  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -3.030  -3.292  -1.661  0.00  0.00    -0.007 A 
ATOM     32  C   LIG    1       -2.169  -2.958  -2.845  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8