REMARK  Name = BDB059173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.045   1.208  -0.086  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -0.135   0.588  -0.039  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.168  -0.651   0.506  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1        0.947  -1.279   1.026  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        2.119  -0.553   0.923  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        2.184   0.685   0.380  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.498  -1.246   0.503  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -2.737  -0.679   0.941  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -3.733  -1.629   0.709  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -5.078  -1.412   1.031  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -5.417  -0.184   1.606  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.449   0.786   1.849  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -3.126  -2.723   0.137  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -3.610  -3.565  -0.144  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -3.108   0.552   1.523  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -1.782  -2.496  -0.014  0.00  0.00    +0.093 A 
ENDBRANCH   3   7
BRANCH   4  17
ATOM     17  C   LIG    1        0.894  -2.561   1.650  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        0.855  -3.599   2.167  0.00  0.00    -0.191 NA
ENDBRANCH   4  17
BRANCH   1  19
ATOM     19  S   LIG    1        1.151   2.831  -0.782  0.00  0.00    -0.073 S 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.532   2.993  -1.453  0.00  0.00    +0.165 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -0.845   5.334  -2.701  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -0.701   4.282  -2.139  0.00  0.00    -0.094 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   5  23
ATOM     23  S   LIG    1        3.695  -1.165   1.507  0.00  0.00    -0.027 S 
BRANCH  23  24
ATOM     24  C   LIG    1        4.358  -1.463  -0.057  0.00  0.00    +0.215 A 
ATOM     25  N   LIG    1        5.223  -0.630  -0.701  0.00  0.00    -0.223 N 
ATOM     26  C   LIG    1        5.781   0.626  -0.286  0.00  0.00    +0.177 C 
ATOM     27  N   LIG    1        5.503  -1.138  -1.916  0.00  0.00    -0.043 NA
ATOM     28  N   LIG    1        4.808  -2.266  -1.990  0.00  0.00    -0.022 NA
ATOM     29  N   LIG    1        4.082  -2.478  -0.841  0.00  0.00    -0.101 NA
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 7