REMARK  Name = BDB015391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.076   2.022  -0.421  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        1.491   0.703  -0.154  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        2.065   0.546   0.998  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        2.176   1.887   1.612  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1        1.321   2.835   0.782  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        1.260  -0.288  -1.070  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        1.838  -0.137  -2.428  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        2.777  -1.305  -2.823  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.649  -1.844  -1.755  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        2.823  -2.162  -0.556  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        1.354  -1.679  -0.590  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.697  -0.858  -1.399  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        5.779  -0.788  -2.513  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        6.538  -1.925  -1.805  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        5.785  -1.543  -0.519  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1       -0.237   2.515  -1.357  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -0.179   1.929  -2.679  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -0.357   3.956  -1.220  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1       -3.867   0.663   0.788  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -3.460   1.982   1.056  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -2.355   2.548   0.410  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1       -1.628   1.794  -0.510  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1       -2.026   0.495  -0.820  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -3.130  -0.063  -0.170  0.00  0.00    +0.006 A 
BRANCH  19  25
ATOM     25  C   LIG    1       -5.076   0.010   1.487  0.00  0.00    -0.010 C 
ATOM     26  C   LIG    1       -6.141  -0.324   0.412  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1       -5.773   0.929   2.519  0.00  0.00    +0.016 C 
BRANCH  25  29
ATOM     28  C   LIG    1       -3.624  -1.175   3.299  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.669  -1.319   2.195  0.00  0.00    +0.007 C 
ENDBRANCH  25  29
ENDBRANCH  19  25
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 6