REMARK  Name = BDB015380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.028  -2.750  -0.301  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.636  -1.736  -1.018  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.670  -1.919  -2.301  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1        0.055  -3.243  -2.570  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1        1.151  -4.205  -3.012  0.00  0.00    +0.034 C 
ATOM      6  C   LIG    1       -0.626  -3.684  -1.272  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.165  -0.662  -0.357  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1        1.427   0.551  -1.163  0.00  0.00    +0.123 C 
ATOM      9  C   LIG    1        2.146   1.629  -0.330  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        3.495   1.211   0.127  0.00  0.00    -0.296 NA
ATOM     11  C   LIG    1        3.539  -0.259   0.331  0.00  0.00    +0.103 C 
ATOM     12  C   LIG    1        2.183  -0.901   0.692  0.00  0.00    +0.123 C 
BRANCH  10  13
ATOM     13  C   LIG    1        3.826   1.911   1.378  0.00  0.00    +0.057 C 
ATOM     14  C   LIG    1        4.048   3.423   1.100  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1        5.277   3.328   2.029  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1        5.357   1.838   1.632  0.00  0.00    +0.019 C 
ENDBRANCH  10  13
ENDBRANCH   2   7
BRANCH   1  17
ATOM     17  S   LIG    1       -0.872  -2.593   1.150  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -1.528  -3.860   1.418  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -0.035  -1.996   2.171  0.00  0.00    -0.150 OA
BRANCH  17  23
ATOM     20  C   LIG    1       -4.180   0.437   0.190  0.00  0.00    -0.045 A 
ATOM     21  C   LIG    1       -2.914   0.869   0.619  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -1.906  -0.053   0.907  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1       -2.152  -1.418   0.751  0.00  0.00    +0.109 A 
ATOM     24  C   LIG    1       -3.412  -1.868   0.353  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -4.417  -0.942   0.067  0.00  0.00    +0.006 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -5.699   2.226   1.111  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -5.292   1.423  -0.127  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       -4.907   2.353  -1.280  0.00  0.00    +0.012 C 
ENDBRANCH  20  27
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 5