REMARK  Name = BDB015413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.903  -1.073  -0.365  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.438  -1.385  -0.654  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.609  -2.390  -1.452  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        0.744  -2.854  -1.839  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1        1.744  -2.143  -0.931  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -1.420  -0.623  -0.095  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1       -1.614   0.725  -0.674  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -2.907   1.380  -0.157  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1       -4.119   0.634  -0.560  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1       -3.873  -0.823  -0.588  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -2.684  -1.292   0.277  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -5.271   1.133   0.200  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -6.608   0.567  -0.326  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -7.053   0.492   1.155  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -5.554   0.415   1.536  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1        1.441  -0.406   1.090  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1        0.659   0.749   1.477  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        1.693  -1.487   2.022  0.00  0.00    -0.150 OA
BRANCH  16  26
ATOM     19  C   LIG    1        9.142   1.152   0.019  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1        7.669   0.972   0.129  0.00  0.00    +0.076 A 
ATOM     21  S   LIG    1        7.029  -0.273   1.120  0.00  0.00    -0.072 S 
ATOM     22  C   LIG    1        5.431   0.209   0.696  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        5.504   1.296  -0.178  0.00  0.00    +0.079 A 
ATOM     24  C   LIG    1        4.306   1.867  -0.658  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1        3.074   1.340  -0.259  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1        3.036   0.247   0.607  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        4.205  -0.338   1.111  0.00  0.00    +0.046 A 
ATOM     28  N   LIG    1        6.784   1.715  -0.496  0.00  0.00    -0.244 NA
ENDBRANCH  16  26
ENDBRANCH   1  16
TORSDOF 4