REMARK  Name = BDB015697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.883   1.256   0.017  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.819   1.493   0.784  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -0.037   0.437   1.018  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1       -0.243  -0.800   0.550  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -1.331  -0.987  -0.224  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -2.197   0.039  -0.535  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.505  -2.359  -0.758  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.724  -2.933  -0.776  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.930  -4.220  -1.255  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.280  -4.761  -1.237  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.891  -5.013  -1.736  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.014  -6.155  -2.169  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -0.541  -4.394  -1.700  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.380  -3.150  -1.234  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1       -2.659   2.402  -0.267  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1       -3.649   2.252  -0.449  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -2.020   3.426  -1.438  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1       -3.155   4.199  -1.902  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -1.232   2.648  -2.369  0.00  0.00    -0.155 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -0.388   5.616  -1.335  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -0.962   4.506  -0.475  0.00  0.00    +0.185 C 
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  22
ATOM     22  O   LIG    1        1.062   0.708   1.800  0.00  0.00    -0.459 OA
BRANCH  22  23
ATOM     23  C   LIG    1        1.935  -0.403   2.047  0.00  0.00    +0.177 C 
ATOM     24  C   LIG    1        2.927  -0.583   0.889  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        3.870   0.612   0.743  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        4.607   0.907   2.045  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        3.640   1.091   3.211  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        2.692  -0.100   3.350  0.00  0.00    +0.044 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6