REMARK  Name = BDB053465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.474  -0.255   0.001  0.00  0.00    +0.168 A 
ATOM      2  C   LIG    1        0.161  -0.852   0.222  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -0.980  -0.112   0.025  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -2.037  -0.947   0.312  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.449  -2.150   0.667  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -0.869   1.202  -0.384  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1        0.361   1.707  -0.574  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.079  -2.087   0.610  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        1.530   0.998  -0.387  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -3.564  -0.681   0.272  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -4.221   0.477  -0.068  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1       -5.556   0.204   0.054  0.00  0.00    -0.274 N 
ATOM     13  C   LIG    1       -6.654   1.106  -0.195  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1       -5.812  -1.055   0.449  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1       -4.597  -1.593   0.582  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   1  16
ATOM     16  N   LIG    1        2.582  -1.046   0.215  0.00  0.00    -0.276 N 
ATOM     17  H   LIG    1        2.347  -1.987   0.512  0.00  0.00    +0.156 HD
BRANCH  16  21
ATOM     18  C   LIG    1        6.577   1.517  -0.686  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.811   0.308  -0.292  0.00  0.00    +0.047 A 
ATOM     20  N   LIG    1        4.430   0.382  -0.277  0.00  0.00    -0.230 NA
ATOM     21  C   LIG    1        3.892  -0.759   0.090  0.00  0.00    +0.164 A 
ATOM     22  S   LIG    1        5.050  -1.998   0.441  0.00  0.00    -0.060 S 
ATOM     23  C   LIG    1        6.324  -0.918   0.073  0.00  0.00    +0.071 A 
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 3