REMARK  Name = BDB027620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.317  -1.396  -0.124  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.994  -2.260  -1.003  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.263  -1.840  -1.402  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.939  -2.681  -2.273  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.481  -3.865  -2.760  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.264  -4.250  -2.340  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.817  -0.696  -0.981  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.100   0.060  -0.135  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.492  -3.496  -1.476  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.868  -0.252   0.305  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.704   1.327   0.317  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.941   2.338   0.916  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.555   3.517   1.310  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.872   3.763   1.161  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.603   2.788   0.585  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        4.075   1.581   0.154  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.972  -1.741   0.299  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -1.574  -1.892  -0.504  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -0.879  -1.409   2.741  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1       -1.654  -1.113   1.443  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1       -3.027  -1.816   1.562  0.00  0.00    +0.031 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -1.875   0.408   1.298  0.00  0.00    +0.047 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.380   0.869  -0.066  0.00  0.00    +0.167 C 
BRANCH  23  24
ATOM     24  S   LIG    1       -2.719   2.624  -0.053  0.00  0.00    -0.034 S 
ATOM     25  O   LIG    1       -3.914   2.838   0.740  0.00  0.00    -0.175 OA
ATOM     26  O   LIG    1       -1.488   3.328   0.247  0.00  0.00    -0.175 OA
ATOM     27  C   LIG    1       -3.131   2.962  -1.747  0.00  0.00    +0.194 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 6