REMARK  Name = BDB056505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.712   2.086  -2.713  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.977   1.663  -1.589  0.00  0.00    +0.235 C 
ATOM      3  N   LIG    1       -4.235   1.766  -1.088  0.00  0.00    -0.283 N 
ATOM      4  H   LIG    1       -4.921   2.196  -1.695  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -4.593   1.327   0.188  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -3.673   0.664   1.024  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -4.130   0.282   2.295  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -5.448   0.523   2.704  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -6.342   1.158   1.853  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1       -2.325   0.420   0.571  0.00  0.00    -0.260 N 
ATOM     11  C   LIG    1       -1.432  -0.429   1.248  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -1.753  -1.201   2.156  0.00  0.00    -0.274 OA
ATOM     13  C   LIG    1       -5.914   1.563   0.593  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.913   1.095  -0.667  0.00  0.00    +0.209 C 
ENDROOT
BRANCH  11  15
ATOM     15  C   LIG    1        0.036  -0.401   0.828  0.00  0.00    +0.173 C 
BRANCH  15  16
ATOM     16  S   LIG    1        0.384  -1.799  -0.280  0.00  0.00    -0.078 S 
BRANCH  16  17
ATOM     17  C   LIG    1        2.092  -1.593  -0.485  0.00  0.00    +0.170 A 
ATOM     18  N   LIG    1        2.682  -2.686  -1.039  0.00  0.00    -0.301 N 
ATOM     19  H   LIG    1        2.117  -3.490  -1.268  0.00  0.00    +0.171 HD
ATOM     20  C   LIG    1        4.024  -2.754  -1.300  0.00  0.00    +0.260 A 
ATOM     21  O   LIG    1        4.547  -3.744  -1.797  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        4.800  -1.553  -0.941  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1        4.102  -0.479  -0.379  0.00  0.00    +0.079 A 
ATOM     24  C   LIG    1        4.814   0.670  -0.030  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        6.195   0.741  -0.240  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.877  -0.340  -0.802  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.180  -1.494  -1.156  0.00  0.00    +0.015 A 
ATOM     28  N   LIG    1        2.714  -0.514  -0.153  0.00  0.00    -0.223 NA
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  11  15
TORSDOF 3