REMARK  Name = BDB006098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.962  -1.012  -0.941  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -8.274   0.539   0.943  0.00  0.00    -0.266 OA
ATOM      3  C   LIG    1       -7.100   0.229   0.776  0.00  0.00    +0.273 A 
ATOM      4  C   LIG    1       -6.398   0.557  -0.472  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -5.074   0.175  -0.590  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.312   0.450  -1.736  0.00  0.00    +0.077 A 
ATOM      7  N   LIG    1       -2.953   0.071  -1.866  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1       -2.423  -0.562  -0.855  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1       -3.128  -0.871   0.286  0.00  0.00    -0.325 N 
ATOM     10  H   LIG    1       -2.611  -1.315   1.038  0.00  0.00    +0.169 HD
ATOM     11  C   LIG    1       -4.937   1.129  -2.783  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -6.280   1.520  -2.680  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -4.432  -0.539   0.519  0.00  0.00    +0.162 A 
ATOM     14  N   LIG    1       -5.053  -0.823   1.625  0.00  0.00    -0.153 NA
ATOM     15  C   LIG    1       -7.013   1.236  -1.524  0.00  0.00    +0.014 A 
ATOM     16  N   LIG    1       -6.362  -0.437   1.733  0.00  0.00    -0.241 N 
ATOM     17  H   LIG    1       -6.832  -0.672   2.602  0.00  0.00    +0.192 HD
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1       -0.357  -1.012   0.408  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1        0.769  -1.952   0.520  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1        1.959  -1.773  -0.447  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1        2.881  -0.678  -0.021  0.00  0.00    -0.175 NA
ATOM     22  C   LIG    1        2.231   0.661  -0.033  0.00  0.00    +0.111 C 
ATOM     23  C   LIG    1        1.323   0.799   1.180  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1       -0.114   0.344   0.919  0.00  0.00    +0.086 C 
BRANCH  21  25
ATOM     25  S   LIG    1        4.386  -0.745  -0.849  0.00  0.00    +0.061 S 
ATOM     26  O   LIG    1        4.190  -0.114  -2.137  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1        4.910  -2.089  -0.738  0.00  0.00    -0.153 OA
BRANCH  25  28
ATOM     28  C   LIG    1        5.428   0.297   0.144  0.00  0.00    +0.106 A 
ATOM     29  C   LIG    1        6.020   1.435  -0.413  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        6.832   2.243   0.385  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        7.047   1.907   1.724  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        8.046   2.909   2.703  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        6.460   0.767   2.275  0.00  0.00    +0.022 A 
ATOM     34  C   LIG    1        5.647  -0.046   1.483  0.00  0.00    +0.030 A 
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH   1  18
TORSDOF 4