REMARK  Name = BDB053297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.330   0.598   1.338  0.00  0.00    -0.253 N 
ATOM      2  H   LIG    1       -1.404   1.513   1.763  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1       -0.097   0.038   1.467  0.00  0.00    +0.324 C 
ATOM      4  N   LIG    1        0.044  -1.325   1.241  0.00  0.00    -0.169 N 
ATOM      5  H   LIG    1       -0.774  -1.917   1.315  0.00  0.00    +0.178 HD
ATOM      6  O   LIG    1        0.842   0.741   1.818  0.00  0.00    -0.251 OA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.760   0.640   0.446  0.00  0.00    +0.132 A 
ATOM      8  N   LIG    1       -3.571   0.942   1.014  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -2.497   0.192   0.697  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1       -2.562  -0.836  -0.225  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1       -3.790  -1.138  -0.807  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1       -4.912  -0.395  -0.461  0.00  0.00    +0.089 A 
BRANCH   7  17
ATOM     13  C   LIG    1       -7.548   3.397   2.061  0.00  0.00    +0.129 C 
ATOM     14  N   LIG    1       -7.902   2.393   1.087  0.00  0.00    -0.302 N 
ATOM     15  H   LIG    1       -8.867   2.337   0.782  0.00  0.00    +0.150 HD
ATOM     16  C   LIG    1       -7.107   1.454   0.499  0.00  0.00    +0.305 C 
ATOM     17  N   LIG    1       -5.798   1.472   0.870  0.00  0.00    -0.254 N 
ATOM     18  H   LIG    1       -5.492   2.164   1.532  0.00  0.00    +0.158 HD
ATOM     19  O   LIG    1       -7.623   0.682  -0.303  0.00  0.00    -0.252 OA
ENDBRANCH   7  17
BRANCH  11  20
ATOM     20  O   LIG    1       -3.755  -2.174  -1.701  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -4.984  -2.526  -2.330  0.00  0.00    +0.277 C 
ENDBRANCH  11  20
ENDBRANCH   1   9
BRANCH   4  22
ATOM     22  S   LIG    1        1.421  -2.177   1.639  0.00  0.00    +0.082 S 
ATOM     23  O   LIG    1        1.219  -3.498   1.079  0.00  0.00    -0.149 OA
ATOM     24  O   LIG    1        1.669  -1.996   3.052  0.00  0.00    -0.149 OA
BRANCH  22  25
ATOM     25  C   LIG    1        2.811  -1.516   0.760  0.00  0.00    +0.146 A 
ATOM     26  S   LIG    1        4.341  -2.082   1.255  0.00  0.00    -0.073 S 
ATOM     27  C   LIG    1        5.161  -1.141   0.078  0.00  0.00    -0.003 A 
ATOM     28  C   LIG    1        4.280  -0.408  -0.704  0.00  0.00    -0.038 A 
ATOM     29  C   LIG    1        4.662   0.518  -1.812  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        2.923  -0.637  -0.298  0.00  0.00    +0.040 A 
BRANCH  27  31
ATOM     31  C   LIG    1        6.667  -1.208   0.010  0.00  0.00    +0.071 C 
BRANCH  31  32
ATOM     32  C   LIG    1        7.337  -0.037   0.738  0.00  0.00    +0.164 C 
BRANCH  32  33
ATOM     33  O   LIG    1        7.319   1.168  -0.034  0.00  0.00    -0.383 OA
ATOM     34  C   LIG    1        8.390   1.253  -0.964  0.00  0.00    +0.193 C 
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  27  31
ENDBRANCH  22  25
ENDBRANCH   4  22
TORSDOF 8