REMARK  Name = BDB015394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.653   1.355   1.810  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.068   1.701   0.575  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.653   2.679  -0.043  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        1.811   3.081   0.787  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1        1.665   2.378   2.131  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -1.043   1.036   0.136  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1       -2.131   0.675   1.068  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -3.482   1.280   0.630  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1       -3.912   0.892  -0.729  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1       -2.777   0.523  -1.591  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -1.494   1.308  -1.245  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -5.064  -0.014  -0.686  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -5.435  -0.645  -2.047  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -5.750  -1.937  -1.254  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -4.743  -1.441  -0.187  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1       -0.081  -1.115   2.109  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1        1.046  -0.223   2.278  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1        1.713  -0.146   3.565  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1        2.271  -0.693   1.072  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1        3.629  -0.657   1.406  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        4.595  -1.032   0.460  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        4.181  -1.458  -0.826  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        5.152  -1.830  -1.770  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.510  -1.784  -1.452  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.916  -1.369  -0.187  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        2.811  -1.507  -1.131  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        5.965  -0.996   0.764  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        1.856  -1.133  -0.185  0.00  0.00    +0.029 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4