REMARK  Name = BDB025404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.338   0.283   1.191  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.996  -0.099   0.923  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.925  -0.646   1.818  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        3.059  -0.901   1.089  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        4.375  -1.479   1.455  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        5.439  -1.036   0.433  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.962  -1.293  -0.961  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.738  -0.533  -1.366  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.765  -0.471  -0.223  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.539   0.048  -0.327  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -0.785   0.141   2.328  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -4.399  -1.012  -0.123  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1       -3.039  -0.702  -0.184  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -2.580   0.600   0.090  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1       -1.086   0.880   0.004  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -0.804   2.384  -0.076  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -1.647   3.126   0.948  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1       -3.059   2.935   0.659  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -3.663   3.430   1.309  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.491   1.612   0.456  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.871   1.313   0.463  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1       -5.903   2.366   0.765  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1       -5.306   0.004   0.191  0.00  0.00    +0.008 A 
BRANCH  12  25
ATOM     24  C   LIG    1       -5.176  -2.587  -1.913  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -4.883  -2.405  -0.432  0.00  0.00    +0.032 C 
ENDBRANCH  12  25
ENDBRANCH   1  15
BRANCH   7  26
ATOM     26  S   LIG    1        6.131  -1.490  -2.159  0.00  0.00    +0.029 S 
ATOM     27  O   LIG    1        7.141  -2.391  -1.647  0.00  0.00    -0.158 OA
ATOM     28  O   LIG    1        5.450  -1.758  -3.407  0.00  0.00    -0.158 OA
ATOM     29  C   LIG    1        6.865   0.131  -2.276  0.00  0.00    +0.215 C 
ENDBRANCH   7  26
BRANCH   3  30
ATOM     30  N   LIG    1        1.674  -0.847   3.132  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        0.710  -0.753   3.474  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        2.225  -1.505   3.676  0.00  0.00    +0.144 HD
ENDBRANCH   3  30
TORSDOF 4