REMARK  Name = BDB007078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.708   0.045  -0.319  0.00  0.00    +0.141 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1       -1.611  -0.906  -0.834  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1       -2.997  -0.973  -0.685  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1       -3.611  -0.094   0.227  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -5.003  -0.166   0.368  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -5.727  -1.087  -0.381  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -5.033  -1.909  -1.250  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -2.832   0.816   0.958  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -1.447   0.857   0.786  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.692  -1.872  -1.415  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -0.808  -0.008  -0.118  0.00  0.00    +0.021 A 
BRANCH   2  12
ATOM     12  O   LIG    1       -1.026  -1.776  -1.728  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1       -1.783  -2.276  -2.105  0.00  0.00    +0.292 HD
ENDBRANCH   2  12
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1        1.109   1.367  -0.959  0.00  0.00    +0.014 A 
ATOM     15  S   LIG    1        0.964   1.578  -2.659  0.00  0.00    -0.099 S 
ATOM     16  C   LIG    1        1.567   3.175  -2.579  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        1.879   3.549  -1.292  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        1.615   2.507  -0.358  0.00  0.00    +0.013 A 
ENDBRANCH   1  14
BRANCH   1  19
ATOM     19  N   LIG    1        1.336  -0.215   0.997  0.00  0.00    -0.331 N 
ATOM     20  H   LIG    1        0.730  -0.793   1.575  0.00  0.00    +0.147 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.655  -0.680   1.077  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        3.628  -0.563   0.082  0.00  0.00    +0.133 A 
ATOM     23  N   LIG    1        4.922  -0.960   0.201  0.00  0.00    -0.261 NA
ATOM     24  C   LIG    1        5.288  -1.476   1.389  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        4.426  -1.605   2.462  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        3.105  -1.190   2.300  0.00  0.00    +0.026 A 
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5