REMARK  Name = BDB054549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.533  -0.691  -2.693  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        1.068  -0.149  -1.399  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        0.147   0.531  -0.617  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1        0.516   1.042   0.536  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1        1.898   0.875   0.960  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1        2.787   0.199   0.164  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        3.993   0.214   0.829  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        3.739   0.906   2.001  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        2.432   1.320   2.078  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        2.356  -0.323  -1.040  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        5.362  -0.388   0.416  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        6.510  -0.307   1.171  0.00  0.00    +0.119 A 
ATOM     13  N   LIG    1        7.475  -0.978   0.473  0.00  0.00    -0.260 N 
ATOM     14  N   LIG    1        7.039  -1.445  -0.714  0.00  0.00    -0.178 NA
ATOM     15  C   LIG    1        5.747  -1.102  -0.733  0.00  0.00    +0.144 A 
BRANCH  13  16
ATOM     16  C   LIG    1        8.873  -1.122   0.834  0.00  0.00    +0.263 C 
BRANCH  16  17
ATOM     17  C   LIG    1        9.079  -2.168   1.890  0.00  0.00    +0.326 C 
ATOM     18  O   LIG    1        8.248  -2.679   2.622  0.00  0.00    -0.249 OA
BRANCH  17  19
ATOM     19  O   LIG    1       10.384  -2.497   2.029  0.00  0.00    -0.479 OA
ATOM     20  H   LIG    1       10.387  -3.177   2.737  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   7  11
BRANCH   4  21
ATOM     21  N   LIG    1       -0.347   1.730   1.369  0.00  0.00    -0.290 N 
ATOM     22  H   LIG    1        0.110   2.047   2.222  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -1.663   2.022   1.228  0.00  0.00    +0.091 A 
ATOM     24  S   LIG    1       -2.530   2.894   2.430  0.00  0.00    +0.027 S 
ATOM     25  N   LIG    1       -3.987   2.900   1.649  0.00  0.00    -0.212 NA
ATOM     26  C   LIG    1       -3.867   2.234   0.499  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1       -2.551   1.736   0.211  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -5.066   2.091  -0.406  0.00  0.00    +0.140 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.898   0.925  -0.048  0.00  0.00    -0.297 NA
ATOM     30  C   LIG    1       -7.207   0.971  -0.715  0.00  0.00    +0.085 C 
ATOM     31  C   LIG    1       -7.307   0.053  -1.931  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -7.060  -1.406  -1.550  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -6.144  -1.539  -0.335  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1       -5.188  -0.351  -0.228  0.00  0.00    +0.085 C 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 8