REMARK  Name = BDB057019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.331  -0.785   0.758  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1       -2.676  -1.069   0.279  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -3.438  -0.070  -0.270  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -4.639  -0.646  -0.620  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -4.512  -1.975  -0.251  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -2.915   1.206  -0.364  0.00  0.00    +0.116 A 
ATOM      7  C   LIG    1       -1.666   1.431   0.089  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -1.037   2.793   0.018  0.00  0.00    +0.067 C 
ATOM      9  N   LIG    1       -3.286  -2.234   0.309  0.00  0.00    -0.232 NA
ATOM     10  N   LIG    1       -0.871   0.442   0.649  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -5.897  -0.025  -1.280  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -6.103   1.275  -1.673  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -7.367   1.318  -2.196  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -7.859   2.115  -2.586  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1       -7.996   0.134  -2.170  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -7.101  -0.684  -1.611  0.00  0.00    +0.144 A 
ENDBRANCH   4  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.596  -1.821   1.305  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1       -1.107  -2.703   1.298  0.00  0.00    +0.154 HD
BRANCH  17  22
ATOM     19  C   LIG    1        2.813  -1.314   2.543  0.00  0.00    +0.058 A 
ATOM     20  N   LIG    1        2.812  -2.608   2.869  0.00  0.00    -0.213 NA
ATOM     21  S   LIG    1        1.370  -3.281   2.422  0.00  0.00    +0.027 S 
ATOM     22  C   LIG    1        0.659  -1.839   1.815  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1        1.587  -0.829   1.970  0.00  0.00    +0.056 A 
BRANCH  19  24
ATOM     24  C   LIG    1        4.018  -0.480   2.855  0.00  0.00    +0.111 C 
BRANCH  24  28
ATOM     25  C   LIG    1        4.930   1.318  -1.776  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.289   0.435  -0.620  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1        4.488   0.398   0.525  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        4.855  -0.420   1.598  0.00  0.00    +0.047 A 
ATOM     29  N   LIG    1        5.995  -1.155   1.579  0.00  0.00    -0.259 NA
ATOM     30  C   LIG    1        6.760  -1.099   0.468  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        6.456  -0.327  -0.640  0.00  0.00    +0.023 A 
ENDBRANCH  24  28
ENDBRANCH  19  24
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 5