REMARK  Name = BDB015378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.038   1.090   1.761  0.00  0.00    -0.171 N 
ATOM      2  C   LIG    1       -0.713   0.682   0.646  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.708   1.514  -0.345  0.00  0.00    -0.246 NA
ATOM      4  C   LIG    1        0.174   2.650   0.044  0.00  0.00    +0.082 C 
ATOM      5  C   LIG    1        1.382   2.686  -0.896  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        0.853   3.334  -2.176  0.00  0.00    +0.002 C 
ATOM      7  C   LIG    1       -0.374   4.153  -1.770  0.00  0.00    +0.002 C 
ATOM      8  C   LIG    1       -0.527   3.972  -0.259  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1        0.534   2.456   1.522  0.00  0.00    +0.164 C 
ENDROOT
BRANCH   2  10
ATOM     10  N   LIG    1       -1.377  -0.511   0.695  0.00  0.00    -0.300 N 
ATOM     11  C   LIG    1       -2.327  -0.746   1.802  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -3.737  -0.226   1.439  0.00  0.00    +0.103 C 
ATOM     13  N   LIG    1       -4.299  -0.732   0.164  0.00  0.00    -0.296 NA
ATOM     14  C   LIG    1       -3.287  -0.546  -0.906  0.00  0.00    +0.103 C 
ATOM     15  C   LIG    1       -1.877  -1.076  -0.571  0.00  0.00    +0.123 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -4.676  -2.149   0.289  0.00  0.00    +0.057 C 
ATOM     17  C   LIG    1       -5.972  -2.277   1.136  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -6.449  -3.312   0.097  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1       -5.551  -2.575  -0.919  0.00  0.00    +0.019 C 
ENDBRANCH  13  16
ENDBRANCH   2  10
BRANCH   1  20
ATOM     20  S   LIG    1        1.038   0.087   2.682  0.00  0.00    +0.077 S 
ATOM     21  O   LIG    1        0.364  -1.143   3.036  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1        1.638   0.903   3.720  0.00  0.00    -0.150 OA
BRANCH  20  26
ATOM     23  C   LIG    1        4.345  -1.018  -0.295  0.00  0.00    -0.045 A 
ATOM     24  C   LIG    1        3.110  -1.683  -0.311  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.106  -1.350   0.599  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1        2.327  -0.333   1.526  0.00  0.00    +0.109 A 
ATOM     27  C   LIG    1        3.555   0.326   1.575  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        4.556  -0.013   0.662  0.00  0.00    +0.006 A 
BRANCH  23  30
ATOM     29  C   LIG    1        5.761  -0.229  -2.227  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        5.420  -1.400  -1.299  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1        6.675  -1.932  -0.602  0.00  0.00    +0.012 C 
ENDBRANCH  23  30
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 5