REMARK  Name = BDB025373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.795  -0.369  -0.125  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.540  -0.107  -0.526  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.312   1.073  -0.565  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.613   0.672  -0.763  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.891   1.427  -0.820  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        5.002   0.571  -1.460  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        5.020  -0.849  -0.975  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.738  -1.584  -1.261  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.554  -0.720  -0.958  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.306  -1.180  -0.918  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.293  -1.463  -0.384  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -5.169   0.584  -0.388  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1       -3.780   0.753  -0.409  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -3.000   0.510   0.739  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1       -1.490   0.723   0.678  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -0.896   0.807   2.091  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -1.462  -0.303   2.964  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1       -2.899  -0.129   3.108  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -3.330  -0.839   3.696  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.616   0.054   1.916  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -5.009  -0.079   1.938  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -5.778   0.167   0.798  0.00  0.00    +0.005 A 
BRANCH  12  24
ATOM     23  C   LIG    1       -6.094  -0.433  -2.485  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -5.990   0.821  -1.629  0.00  0.00    +0.032 C 
ENDBRANCH  12  24
ENDBRANCH   1  15
BRANCH   7  25
ATOM     25  S   LIG    1        5.694  -1.162   0.547  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1        5.564  -2.577   0.818  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        5.207  -0.170   1.478  0.00  0.00    -0.158 OA
ATOM     28  C   LIG    1        7.422  -0.851   0.251  0.00  0.00    +0.215 C 
ENDBRANCH   7  25
BRANCH   3  29
ATOM     29  N   LIG    1        0.850   2.343  -0.424  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1        1.531   3.098  -0.510  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        0.003   2.616  -0.923  0.00  0.00    +0.144 HD
ENDBRANCH   3  29
TORSDOF 4