REMARK  Name = BDB015455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.396  -1.031  -0.807  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.132   0.193  -0.650  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.677   1.165  -0.187  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -2.003   0.927   0.100  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -2.438  -0.356  -0.133  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -1.673  -1.354  -0.578  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.058   2.502   0.017  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        1.254   2.562   0.319  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        1.915   3.762   0.530  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        3.332   3.714   0.860  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        1.276   4.995   0.445  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        1.826   6.077   0.642  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -0.176   4.951   0.080  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.874   6.266  -0.058  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.773   3.763  -0.118  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -3.767  -0.731   0.161  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -4.473   0.000   0.110  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -3.969  -1.614   1.577  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -5.365  -1.437   1.920  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -2.935  -1.228   2.513  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.719  -3.328   1.051  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -3.960  -4.263   2.233  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -4.622  -3.696  -0.120  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        0.399  -2.072  -1.270  0.00  0.00    -0.423 OA
BRANCH  24  28
ATOM     25  C   LIG    1        4.348  -1.930   1.650  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        3.724  -1.860   0.288  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1        2.341  -2.006   0.135  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        1.757  -1.895  -1.133  0.00  0.00    +0.135 A 
ATOM     29  C   LIG    1        2.542  -1.672  -2.272  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1        1.921  -1.564  -3.634  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1        3.922  -1.505  -2.108  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1        4.506  -1.592  -0.840  0.00  0.00    +0.004 A 
ENDBRANCH  24  28
ENDBRANCH   1  24
TORSDOF 6