REMARK  Name = BDB028537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.998   0.567   2.655  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.667   0.577   1.473  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.551   0.341   0.453  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -3.951   0.070   0.726  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -4.642   0.138  -0.653  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.523  -0.413  -1.556  0.00  0.00    +0.039 C 
ATOM      7  C   LIG    1       -2.260   0.196  -0.962  0.00  0.00    +0.111 C 
ATOM      8  N   LIG    1       -0.380   0.802   1.068  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -0.282   1.259   0.172  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  10
ATOM     10  N   LIG    1       -5.911  -0.604  -0.758  0.00  0.00    -0.296 NA
ATOM     11  C   LIG    1       -6.925  -0.168   0.225  0.00  0.00    +0.095 C 
ATOM     12  C   LIG    1       -7.486   1.250   0.037  0.00  0.00    +0.084 C 
ATOM     13  S   LIG    1       -8.296   1.474  -1.579  0.00  0.00    -0.158 S 
ATOM     14  C   LIG    1       -6.996   0.756  -2.634  0.00  0.00    +0.084 C 
ATOM     15  C   LIG    1       -6.495  -0.599  -2.115  0.00  0.00    +0.095 C 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1        0.636   1.192   2.030  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.045   1.113   1.433  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.089   1.870   0.211  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        2.866   1.512  -0.268  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.480  -0.340   1.143  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.767  -0.391   0.405  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        4.901  -0.006   1.275  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        6.260  -0.228   0.644  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        6.421  -1.114  -0.435  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        7.694  -1.323  -0.983  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        8.806  -0.676  -0.446  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.655   0.187   0.637  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.217  -1.786  -1.040  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        7.389   0.408   1.181  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.998  -1.754  -0.109  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 6