REMARK  Name = BDB049867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.455   0.387  -1.142  0.00  0.00    +0.192 A 
ATOM      2  N   LIG    1        0.334   0.868  -0.586  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -0.824   0.293  -0.950  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -0.874  -0.724  -1.875  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1        0.337  -1.127  -2.372  0.00  0.00    +0.135 A 
ATOM      6 CL   LIG    1        0.433  -2.390  -3.529  0.00  0.00    -0.062 Cl
ATOM      7  N   LIG    1        1.520  -0.606  -2.026  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -1.993   0.818  -0.380  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1       -1.714   1.536   0.286  0.00  0.00    +0.154 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -3.115   0.106   0.113  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1       -4.377   0.746   0.174  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -4.537   2.153  -0.350  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -5.473   0.076   0.768  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1       -6.833   0.714   0.874  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -5.304  -1.228   1.257  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.063  -1.853   1.199  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -2.974  -1.184   0.646  0.00  0.00    +0.023 A 
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  S   LIG    1        2.978   1.106  -0.582  0.00  0.00    -0.071 S 
BRANCH  18  19
ATOM     19  C   LIG    1        3.798  -0.431   0.000  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.002  -1.083   1.126  0.00  0.00    +0.318 C 
ATOM     21  O   LIG    1        3.006  -2.288   1.339  0.00  0.00    -0.250 OA
BRANCH  20  22
ATOM     22  O   LIG    1        2.334  -0.226   1.934  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1        2.385   0.702   1.622  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  C   LIG    1        5.223  -0.153   0.500  0.00  0.00    +0.026 C 
BRANCH  24  26
ATOM     25  C   LIG    1        7.611   0.410  -0.080  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        6.198   0.235  -0.616  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8