REMARK  Name = BDB015479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.767  -1.538   0.077  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -2.434  -0.455   0.478  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.688   0.644   0.635  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.372   0.733   0.383  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.251  -0.386  -0.036  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.431  -1.565  -0.238  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.704  -0.244  -0.309  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.551  -1.254  -0.035  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        3.915  -1.160  -0.263  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        4.748  -2.308   0.062  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        4.513  -0.012  -0.780  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        5.716   0.099  -1.008  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        3.591   1.136  -1.056  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.211   2.393  -1.575  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        2.277   0.993  -0.821  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1       -2.642  -2.640  -0.110  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1       -3.569  -2.302   0.162  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.285  -4.018   0.802  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1       -0.875  -4.322   0.682  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -2.909  -3.846   2.094  0.00  0.00    -0.155 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -4.671  -5.038  -0.149  0.00  0.00    +0.030 C 
ATOM     22  C   LIG    1       -3.176  -5.276  -0.103  0.00  0.00    +0.185 C 
ENDBRANCH  18  22
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  23
ATOM     23  O   LIG    1       -2.388   1.773   1.050  0.00  0.00    -0.422 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -1.624   2.890   1.301  0.00  0.00    +0.153 A 
ATOM     25  C   LIG    1       -1.001   3.062   2.547  0.00  0.00    +0.085 A 
ATOM     26 CL   LIG    1       -1.167   1.895   3.808  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1       -0.234   4.199   2.794  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1       -0.103   5.166   1.801  0.00  0.00    +0.043 A 
ATOM     29 CL   LIG    1        0.850   6.568   2.098  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -0.742   5.016   0.568  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1       -1.525   3.882   0.309  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1       -2.196   3.722  -1.025  0.00  0.00    +0.047 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6