REMARK  Name = BDB015375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.352   0.865  -0.684  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -1.048   1.042  -0.675  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -1.450   2.268  -0.567  0.00  0.00    -0.249 NA
ATOM      4  C   LIG    1       -0.233   3.116  -0.586  0.00  0.00    +0.131 C 
ATOM      5  C   LIG    1        0.964   2.179  -0.394  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -1.841  -0.069  -0.715  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1       -1.607  -1.133   0.282  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -2.744  -2.173   0.289  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1       -4.056  -1.584   0.635  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1       -4.207  -0.227   0.068  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -3.255   0.088  -1.105  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -5.112  -2.569   0.371  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -5.701  -2.549  -1.056  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -7.085  -2.743  -0.390  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -6.491  -2.107   0.889  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1        1.121  -0.029  -1.906  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1        1.304   0.843  -3.050  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        0.530  -1.342  -2.053  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1        5.238  -0.734  -0.015  0.00  0.00    -0.045 A 
ATOM     20  C   LIG    1        4.080  -1.290   0.553  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        2.828  -1.079  -0.027  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        2.729  -0.301  -1.183  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        3.867   0.254  -1.770  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        5.116   0.038  -1.183  0.00  0.00    +0.006 A 
BRANCH  19  26
ATOM     25  C   LIG    1        6.998  -2.436   0.590  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        6.610  -0.955   0.600  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1        6.693  -0.378   2.015  0.00  0.00    +0.012 C 
ENDBRANCH  19  26
ENDBRANCH  16  22
ENDBRANCH   1  16
BRANCH   4  28
ATOM     28  C   LIG    1       -0.358   4.127   0.514  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1        0.395   5.432   0.446  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -1.099   5.418   0.277  0.00  0.00    +0.006 C 
ENDBRANCH   4  28
TORSDOF 6