REMARK  Name = BDB053658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.516  -1.275  -1.591  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -3.652  -2.263  -2.630  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -3.072  -2.008  -3.837  0.00  0.00    -0.234 N 
ATOM      4  C   LIG    1       -3.305  -3.058  -4.681  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -4.049  -4.000  -4.007  0.00  0.00    +0.022 A 
ATOM      6  N   LIG    1       -2.377  -0.908  -4.136  0.00  0.00    -0.139 NA
ATOM      7  C   LIG    1       -2.294  -0.069  -3.153  0.00  0.00    +0.214 A 
ATOM      8  C   LIG    1       -4.275  -3.495  -2.702  0.00  0.00    +0.033 A 
ATOM      9  N   LIG    1       -2.847  -0.211  -1.910  0.00  0.00    -0.203 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -4.090  -1.502  -0.355  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -4.599  -2.366  -0.254  0.00  0.00    +0.155 HD
BRANCH  10  17
ATOM     12  C   LIG    1       -4.648   0.247   4.232  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1       -4.297   0.003   2.819  0.00  0.00    +0.035 A 
ATOM     14  N   LIG    1       -3.522   0.863   2.096  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -3.096   1.733   2.399  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1       -3.318   0.468   0.833  0.00  0.00    -0.158 NA
ATOM     17  C   LIG    1       -3.972  -0.689   0.718  0.00  0.00    +0.146 A 
ATOM     18  C   LIG    1       -4.600  -1.022   1.949  0.00  0.00    +0.068 A 
ENDBRANCH  10  17
ENDBRANCH   1  10
BRANCH   7  19
ATOM     19  S   LIG    1       -1.400   1.419  -3.461  0.00  0.00    -0.048 S 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.002   1.186  -2.383  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -0.133   1.269  -0.995  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        0.977   1.099  -0.158  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        2.239   0.856  -0.699  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        2.372   0.784  -2.092  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        1.261   0.951  -2.928  0.00  0.00    +0.017 A 
BRANCH  23  26
ATOM     26  N   LIG    1        3.405   0.670   0.070  0.00  0.00    -0.284 N 
ATOM     27  H   LIG    1        4.255   0.504  -0.454  0.00  0.00    +0.155 HD
ATOM     28  C   LIG    1        3.527   0.729   1.453  0.00  0.00    +0.231 C 
ATOM     29  O   LIG    1        2.627   0.978   2.250  0.00  0.00    -0.274 OA
BRANCH  28  30
ATOM     30  C   LIG    1        4.961   0.439   1.929  0.00  0.00    +0.180 C 
BRANCH  30  31
ATOM     31  N   LIG    1        5.664   1.670   2.345  0.00  0.00    -0.300 NA
ATOM     32  C   LIG    1        6.924   1.329   3.007  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        5.906   2.580   1.226  0.00  0.00    +0.105 C 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 7