REMARK  Name = BDB034870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.296  -3.785   1.104  0.00  0.00    +0.013 C 
ATOM      2  C   LIG    1       -2.967  -2.548   0.469  0.00  0.00    -0.010 C 
ATOM      3  C   LIG    1       -2.260  -1.253   0.939  0.00  0.00    +0.114 C 
ATOM      4  N   LIG    1       -1.279  -0.755  -0.032  0.00  0.00    -0.308 N 
ATOM      5  C   LIG    1       -0.469  -1.650  -0.688  0.00  0.00    +0.150 C 
ATOM      6  N   LIG    1        0.795  -1.868  -0.615  0.00  0.00    -0.155 NA
ATOM      7  S   LIG    1       -1.326  -2.695  -1.827  0.00  0.00    -0.092 S 
ATOM      8  C   LIG    1       -2.977  -2.634  -1.072  0.00  0.00    +0.085 C 
ATOM      9  C   LIG    1       -4.431  -2.522   0.958  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.315   0.690  -0.328  0.00  0.00    +0.075 C 
ATOM     11  C   LIG    1       -0.686   1.051  -1.683  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1       -0.744   2.555  -1.947  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -0.109   3.349  -0.810  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1       -0.741   3.003   0.534  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -0.684   1.503   0.812  0.00  0.00    +0.022 C 
ENDBRANCH   4  10
BRANCH   6  16
ATOM     16  C   LIG    1        1.492  -1.199   0.350  0.00  0.00    +0.271 C 
ATOM     17  O   LIG    1        1.226  -1.213   1.547  0.00  0.00    -0.268 OA
BRANCH  16  18
ATOM     18  C   LIG    1        2.644  -0.479  -0.194  0.00  0.00    +0.065 A 
ATOM     19  C   LIG    1        3.521   0.408   0.514  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        4.458   0.879  -0.400  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1        5.465   1.742  -0.175  0.00  0.00    -0.237 NA
ATOM     22  C   LIG    1        5.521   2.161   1.110  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        4.656   1.777   2.126  0.00  0.00    +0.020 A 
ATOM     24  N   LIG    1        4.193   0.308  -1.611  0.00  0.00    -0.345 N 
ATOM     25  H   LIG    1        4.739   0.482  -2.442  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1        3.627   0.882   1.834  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        3.101  -0.511  -1.508  0.00  0.00    +0.098 A 
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 3