REMARK  Name = BDB015545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.192  -0.924   1.140  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -1.550   0.336   0.883  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1       -0.605   1.115   0.333  0.00  0.00    +0.136 A 
ATOM      4  N   LIG    1        0.644   0.705   0.045  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        0.967  -0.566   0.367  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        0.057  -1.443   0.917  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.355  -0.974   0.051  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        3.082  -1.647   0.962  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        4.387  -2.046   0.717  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        5.096  -2.769   1.762  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        5.044  -1.768  -0.482  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        6.195  -2.116  -0.735  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        4.257  -0.991  -1.493  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.949  -0.656  -2.775  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        2.996  -0.630  -1.208  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1       -2.209  -1.708   1.725  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1       -2.152  -2.715   1.589  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.556  -1.358   3.327  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1       -3.263  -2.523   3.819  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -1.343  -0.918   3.983  0.00  0.00    -0.155 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -4.900  -0.286   2.325  0.00  0.00    +0.030 C 
ATOM     22  C   LIG    1       -3.721   0.001   3.231  0.00  0.00    +0.185 C 
ENDBRANCH  18  22
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  23
ATOM     23  C   LIG    1       -0.975   2.538  -0.007  0.00  0.00    +0.114 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.696   2.658  -1.327  0.00  0.00    -0.005 A 
ATOM     25  C   LIG    1       -3.095   2.650  -1.373  0.00  0.00    +0.130 A 
ATOM     26  F   LIG    1       -3.799   2.565  -0.235  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -3.781   2.732  -2.578  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1       -3.055   2.818  -3.757  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1       -3.704   2.897  -4.926  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -1.663   2.822  -3.747  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -0.981   2.739  -2.532  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6