REMARK  Name = BDB056550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.818  -0.328  -2.434  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.452  -1.550  -1.903  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.984  -1.905  -1.116  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.096   0.331  -3.178  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.889   2.124  -0.469  0.00  0.00    +0.224 C 
ATOM      6  N   LIG    1       -2.276   1.546  -1.660  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1       -2.229   0.127  -2.026  0.00  0.00    +0.164 C 
ATOM      8  C   LIG    1       -3.172   0.004  -3.224  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.136   1.393  -3.855  0.00  0.00    +0.134 C 
ATOM     10  C   LIG    1       -3.037   2.308  -2.637  0.00  0.00    +0.140 C 
ATOM     11  O   LIG    1       -2.231   3.273  -0.175  0.00  0.00    -0.275 OA
BRANCH   9  12
ATOM     12  O   LIG    1       -4.312   1.632  -4.610  0.00  0.00    -0.390 OA
ATOM     13  H   LIG    1       -4.273   1.061  -5.397  0.00  0.00    +0.210 HD
ENDBRANCH   9  12
BRANCH   5  14
ATOM     14  C   LIG    1       -0.992   1.338   0.470  0.00  0.00    +0.173 C 
BRANCH  14  19
ATOM     15  C   LIG    1       -4.115  -1.486   3.354  0.00  0.00    +0.069 C 
ATOM     16  C   LIG    1       -3.086  -0.945   2.440  0.00  0.00    +0.081 A 
ATOM     17  N   LIG    1       -2.272  -1.773   1.772  0.00  0.00    -0.083 NA
ATOM     18  O   LIG    1       -1.432  -0.960   1.039  0.00  0.00    -0.359 OA
ATOM     19  C   LIG    1       -1.772   0.342   1.231  0.00  0.00    +0.146 A 
ATOM     20  C   LIG    1       -2.809   0.406   2.129  0.00  0.00    +0.071 A 
ENDBRANCH  14  19
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  C   LIG    1        0.912  -2.023  -2.005  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.740  -1.485  -0.865  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        1.692  -2.088   0.398  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        2.403  -1.544   1.471  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.173  -0.387   1.302  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        3.225   0.213   0.038  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        2.511  -0.328  -1.034  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        3.916   0.192   2.420  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        5.277   0.413   2.576  0.00  0.00    +0.053 A 
ATOM     30  C   LIG    1        6.356   0.071   1.611  0.00  0.00    +0.067 C 
ATOM     31  N   LIG    1        5.641   1.015   3.774  0.00  0.00    -0.252 NA
ATOM     32  C   LIG    1        4.568   1.237   4.499  0.00  0.00    +0.156 A 
ATOM     33  S   LIG    1        3.078   0.752   3.814  0.00  0.00    -0.075 S 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 7