REMARK  Name = BDB050783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.136  -1.075  -0.790  0.00  0.00    +0.196 A 
ATOM      2  N   LIG    1       -1.472  -2.294  -0.348  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -2.112  -2.382   0.826  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1       -2.358  -1.240   1.568  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -1.968  -0.017   1.051  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -1.387   0.073  -0.150  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.478  -3.642   1.322  0.00  0.00    -0.315 N 
ATOM      8  C   LIG    1       -1.959  -4.801   0.573  0.00  0.00    +0.106 C 
ATOM      9  C   LIG    1       -2.843  -5.139  -0.629  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -4.307  -5.296  -0.220  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -4.790  -4.082   0.572  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -3.872  -3.804   1.763  0.00  0.00    +0.106 C 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1       -2.234   1.147   1.822  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.023   0.971   2.799  0.00  0.00    +0.155 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.155   2.416   1.345  0.00  0.00    +0.120 A 
ATOM     16  N   LIG    1       -1.972   3.482   2.186  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -1.873   3.468   3.193  0.00  0.00    +0.190 HD
ATOM     18  N   LIG    1       -1.914   4.671   1.563  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -2.090   4.361   0.273  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -2.102   5.425  -0.758  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1       -2.251   2.969   0.088  0.00  0.00    +0.068 A 
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   1  22
ATOM     22  S   LIG    1       -0.321  -0.986  -2.369  0.00  0.00    -0.050 S 
BRANCH  22  26
ATOM     23  C   LIG    1        3.443   1.416  -1.257  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        3.498   0.029  -1.394  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        2.349  -0.699  -1.732  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        1.130  -0.049  -1.934  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        1.076   1.341  -1.812  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        2.221   2.067  -1.470  0.00  0.00    +0.024 A 
BRANCH  23  30
ATOM     29  C   LIG    1        5.845   1.812  -0.651  0.00  0.00    +0.217 C 
ATOM     30  N   LIG    1        4.548   2.222  -0.914  0.00  0.00    -0.286 N 
ATOM     31  H   LIG    1        4.364   3.215  -0.848  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1        6.266   0.661  -0.671  0.00  0.00    -0.275 OA
BRANCH  29  34
ATOM     33  C   LIG    1        8.171   2.584  -0.025  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        6.739   2.997  -0.317  0.00  0.00    +0.093 C 
ENDBRANCH  29  34
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 7