REMARK  Name = BDB017682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.320  -0.061   1.178  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -1.302  -1.055   1.293  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.605  -0.814   0.852  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.976   0.426   0.310  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -4.381   0.622  -0.121  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -4.793   1.875  -0.572  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.280   2.640  -0.142  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -6.210   2.174  -0.749  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -6.909   0.968  -1.365  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.672  -0.287  -0.519  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.243  -0.414  -0.060  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.832  -1.733   0.491  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -5.614  -2.678   0.563  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.985   1.410   0.186  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -3.546  -1.844   0.935  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -3.284  -2.747   1.305  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.675   1.173   0.620  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        1.094  -0.314   1.659  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        4.317  -0.635  -0.045  0.00  0.00    -0.322 N 
ATOM     20  C   LIG    1        3.053  -0.415  -0.784  0.00  0.00    +0.121 C 
ATOM     21  C   LIG    1        1.944  -1.409  -0.372  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        1.696  -1.526   1.080  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.988  -1.840   1.724  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        4.146  -0.866   1.409  0.00  0.00    +0.121 C 
BRANCH  19  27
ATOM     25  C   LIG    1        7.728   1.027  -0.771  0.00  0.00    +0.091 A 
ATOM     26  S   LIG    1        6.870   0.251   0.476  0.00  0.00    -0.063 S 
ATOM     27  C   LIG    1        5.459  -0.001  -0.497  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        5.698   0.506  -1.768  0.00  0.00    +0.032 A 
ATOM     29  C   LIG    1        6.987   1.099  -1.926  0.00  0.00    +0.028 A 
BRANCH  25  31
ATOM     30  N   LIG    1       10.132   1.949  -0.504  0.00  0.00    -0.190 NA
ATOM     31  C   LIG    1        9.055   1.531  -0.615  0.00  0.00    +0.106 C 
ENDBRANCH  25  31
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4