REMARK  Name = BDB036477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.785   0.791   0.160  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        2.419  -0.445  -0.127  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        1.953  -1.231  -1.189  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.866  -0.742  -1.912  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        0.212   0.450  -1.655  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -0.817   0.480  -2.637  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -0.755  -0.586  -3.443  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1        0.289  -1.357  -2.975  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        0.693   1.248  -0.600  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        1.697   2.699   1.601  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        2.334   1.483   1.220  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        3.510  -0.831   0.689  0.00  0.00    -0.278 N 
ATOM     13  H   LIG    1        3.711  -0.122   1.389  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.306  -1.913   0.707  0.00  0.00    +0.260 A 
ATOM     15  N   LIG    1        5.290  -1.924   1.663  0.00  0.00    -0.178 NA
ATOM     16  C   LIG    1        5.891  -3.069   1.443  0.00  0.00    +0.226 A 
ATOM     17  C   LIG    1        7.039  -3.681   2.132  0.00  0.00    +0.112 C 
ATOM     18  O   LIG    1        5.346  -3.775   0.416  0.00  0.00    -0.337 OA
ATOM     19  N   LIG    1        4.293  -3.006  -0.070  0.00  0.00    -0.040 NA
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1       -1.826   1.408  -2.874  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1       -2.461   1.137  -3.623  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -2.646   2.249  -1.678  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1       -1.737   3.257  -1.174  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -3.915   2.655  -2.248  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.006   1.045  -0.421  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -3.616  -0.170  -0.792  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -3.867  -1.135   0.193  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -3.511  -0.904   1.522  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -2.920   0.301   1.884  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1       -2.691   1.286   0.921  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1       -3.948  -0.337  -2.110  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.288  -1.649  -2.548  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1       -2.092   2.435   1.356  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -3.075   3.386   1.775  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8