REMARK  Name = BDB015656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.460   0.789  -0.463  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.286  -0.507  -0.723  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.014  -0.912  -0.767  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.059  -0.121  -0.602  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.830   1.180  -0.336  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.447   1.690  -0.242  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.043   2.002  -0.104  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.107   3.275  -0.545  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.230   4.069  -0.360  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.208   5.432  -0.867  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.377   3.604   0.279  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.397   4.261   0.468  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.325   2.197   0.749  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.224   1.461   0.557  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.815   1.167  -0.335  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        3.053   2.106  -0.649  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.490   0.905   1.185  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        4.659   1.761   1.207  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.451   1.069   2.179  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.023  -0.825   1.116  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        5.005  -1.065  -0.025  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        5.885  -0.720   2.921  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.550  -1.305   2.480  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -0.163  -2.264  -1.036  0.00  0.00    -0.422 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.395  -2.780  -0.699  0.00  0.00    +0.153 A 
ATOM     26  C   LIG    1       -1.691  -3.118   0.629  0.00  0.00    +0.084 A 
ATOM     27 CL   LIG    1       -0.540  -2.905   1.900  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -2.938  -3.655   0.949  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -3.883  -3.867  -0.054  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -3.580  -3.553  -1.381  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -2.328  -3.022  -1.722  0.00  0.00    -0.007 A 
ATOM     32  C   LIG    1       -2.022  -2.677  -3.152  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7