REMARK  Name = BDB057645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.189  -0.688   0.266  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.379   0.016   0.520  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -2.618  -0.467   0.072  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -2.626  -1.672  -0.647  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -3.831  -2.174  -1.136  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -3.857  -3.043  -1.652  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.033  -1.552  -0.977  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.046  -0.258  -0.223  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -6.420   0.354  -0.151  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -6.424   2.106   0.316  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -5.234   1.987   1.668  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -3.881   1.498   1.155  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -6.060  -2.049  -1.429  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.451  -2.390  -0.890  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.905   0.238   0.311  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -0.231  -1.901  -0.427  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  19
ATOM     17  N   LIG    1        2.231  -0.447   0.077  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        2.115  -0.784  -0.870  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        1.088  -0.120   0.781  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        1.080   0.619   1.758  0.00  0.00    -0.270 OA
BRANCH  17  21
ATOM     21  C   LIG    1        3.495   0.182   0.408  0.00  0.00    +0.104 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.666  -0.593  -0.188  0.00  0.00    +0.020 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.032  -0.039   0.223  0.00  0.00    +0.016 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.302   1.362  -0.326  0.00  0.00    +0.078 C 
BRANCH  24  25
ATOM     25  N   LIG    1        7.646   1.809   0.022  0.00  0.00    -0.330 NA
ATOM     26  H   LIG    1        8.335   1.145  -0.329  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1        7.755   1.815   1.036  0.00  0.00    +0.118 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  19
TORSDOF 6