REMARK  Name = BDB015570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.091  -0.013  -1.180  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.691   0.661  -0.320  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.080   1.262   0.718  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.291   1.265   0.860  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.983   0.582  -0.110  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -1.425  -0.077  -1.126  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.976   1.952   1.677  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.757   1.851   3.003  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        1.575   2.472   3.937  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        1.263   2.307   5.349  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        2.687   3.226   3.573  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        3.439   3.803   4.353  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        2.955   3.312   2.114  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        2.144   2.704   1.240  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1       -3.389   0.450  -0.046  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1       -3.902   1.266   0.281  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -3.938  -0.920   0.760  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1       -5.324  -0.635   1.068  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -3.006  -1.223   1.827  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.877  -2.213  -0.504  0.00  0.00    +0.145 C 
ATOM     21  C   LIG    1       -4.411  -3.520   0.077  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -4.658  -1.818  -1.752  0.00  0.00    +0.033 C 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  23
ATOM     23  O   LIG    1        0.484  -0.643  -2.276  0.00  0.00    -0.420 OA
BRANCH  23  26
ATOM     24  C   LIG    1        2.380   0.608  -3.990  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1        2.764  -0.432  -2.979  0.00  0.00    -0.005 A 
ATOM     26  C   LIG    1        1.802  -1.006  -2.133  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1        2.172  -1.987  -1.209  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1        1.246  -2.573  -0.436  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        3.499  -2.380  -1.083  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        4.468  -1.797  -1.899  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        4.102  -0.831  -2.842  0.00  0.00    +0.007 A 
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 6