REMARK  Name = BDB052979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.188  -0.957  -0.557  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        0.835  -2.316  -1.075  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.392  -2.857  -0.702  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -0.787  -4.120  -1.169  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.054  -4.852  -2.004  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.292  -4.330  -2.363  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.274  -2.115   0.213  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -2.350  -2.609   0.537  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -0.798  -0.895   0.666  0.00  0.00    -0.221 N 
ATOM     10  C   LIG    1        1.687  -3.070  -1.900  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1        0.395  -0.341   0.276  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        2.366  -0.350  -0.992  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        2.820  -0.802  -1.773  0.00  0.00    +0.155 HD
BRANCH  12  19
ATOM     14  C   LIG    1        3.682   3.959   1.184  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1        3.561   2.745   0.344  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1        4.440   2.511  -0.638  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1        4.024   1.349  -1.168  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        4.552   0.971  -1.944  0.00  0.00    +0.190 HD
ATOM     19  C   LIG    1        2.909   0.825  -0.568  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        2.589   1.721   0.427  0.00  0.00    +0.068 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1       -1.624  -0.089   1.565  0.00  0.00    +0.203 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.460   0.893   0.796  0.00  0.00    +0.070 A 
ATOM     23  N   LIG    1       -3.816   0.998   1.089  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1       -4.382   1.903   0.321  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1       -5.828   2.250   0.355  0.00  0.00    +0.073 C 
ATOM     26  S   LIG    1       -3.329   2.710  -0.769  0.00  0.00    -0.080 S 
ATOM     27  C   LIG    1       -2.023   1.775  -0.179  0.00  0.00    +0.072 A 
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 4