REMARK  Name = BDB017664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.283  -0.289  -2.101  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.621  -0.234  -1.394  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -1.820  -0.914  -0.185  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -3.064  -0.863   0.453  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -4.134  -0.128  -0.081  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -5.418  -0.102   0.659  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -6.463   0.695   0.193  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -6.143   1.518  -0.310  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -7.630   0.957   1.028  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -8.027  -0.320   1.758  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.844  -0.881   2.554  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.553  -0.840   1.779  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -4.420  -1.635   2.324  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -4.528  -2.299   3.351  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -3.933   0.527  -1.304  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.240  -1.579   1.641  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.483  -2.126   2.029  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -2.692   0.478  -1.949  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1        3.087   0.989  -1.283  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1        2.756   0.316  -2.556  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        1.499   0.949  -3.202  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        0.307   1.040  -2.328  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        0.716   1.708  -1.067  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        1.938   1.082  -0.356  0.00  0.00    +0.122 C 
BRANCH  19  28
ATOM     25  C   LIG    1        6.529  -0.501   0.536  0.00  0.00    +0.106 A 
ATOM     26  C   LIG    1        5.290  -0.565   1.139  0.00  0.00    +0.139 A 
ATOM     27  N   LIG    1        4.163  -0.075   0.567  0.00  0.00    -0.238 NA
ATOM     28  C   LIG    1        4.243   0.468  -0.671  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1        5.472   0.548  -1.334  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        6.629   0.054  -0.732  0.00  0.00    +0.032 A 
BRANCH  25  32
ATOM     31  C   LIG    1        8.522   0.223   2.323  0.00  0.00    +0.200 C 
ATOM     32  S   LIG    1        7.936  -1.150   1.366  0.00  0.00    -0.004 S 
ATOM     33  O   LIG    1        8.933  -1.455   0.358  0.00  0.00    -0.170 OA
ATOM     34  O   LIG    1        7.468  -2.173   2.281  0.00  0.00    -0.170 OA
ENDBRANCH  25  32
ENDBRANCH  19  28
ENDBRANCH   1  22
TORSDOF 4