REMARK  Name = BDB006093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.960  -1.451   0.248  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -7.676   2.175  -0.890  0.00  0.00    -0.266 OA
ATOM      3  C   LIG    1       -6.569   1.650  -0.840  0.00  0.00    +0.273 A 
ATOM      4  C   LIG    1       -6.166   0.834   0.313  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -4.903   0.272   0.296  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.419  -0.522   1.343  0.00  0.00    +0.077 A 
ATOM      7  N   LIG    1       -3.127  -1.100   1.336  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1       -2.374  -0.862   0.293  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1       -2.802  -0.094  -0.769  0.00  0.00    -0.325 N 
ATOM     10  H   LIG    1       -2.184   0.063  -1.552  0.00  0.00    +0.169 HD
ATOM     11  C   LIG    1       -5.261  -0.740   2.435  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -6.546  -0.178   2.469  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -4.027   0.508  -0.854  0.00  0.00    +0.162 A 
ATOM     14  N   LIG    1       -4.384   1.231  -1.875  0.00  0.00    -0.153 NA
ATOM     15  C   LIG    1       -7.002   0.611   1.407  0.00  0.00    +0.014 A 
ATOM     16  N   LIG    1       -5.637   1.783  -1.849  0.00  0.00    -0.241 N 
ATOM     17  H   LIG    1       -5.901   2.345  -2.652  0.00  0.00    +0.192 HD
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1       -0.001  -0.564   0.929  0.00  0.00    -0.293 NA
ATOM     19  C   LIG    1        0.169   0.738   0.252  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1        1.516   1.413   0.565  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1        2.654   0.584   0.048  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        2.384  -0.889   0.124  0.00  0.00    +0.125 C 
ATOM     23  C   LIG    1        1.298  -1.228   1.161  0.00  0.00    +0.102 C 
BRANCH  21  24
ATOM     24  S   LIG    1        4.165   1.093   0.656  0.00  0.00    +0.061 S 
ATOM     25  O   LIG    1        4.264   2.525   0.481  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        4.340   0.472   1.951  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.305   0.348  -0.487  0.00  0.00    +0.106 A 
ATOM     28  C   LIG    1        6.227  -0.604  -0.041  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        7.114  -1.177  -0.955  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        7.075  -0.794  -2.297  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        8.167  -1.506  -3.419  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        6.159   0.163  -2.737  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1        5.269   0.741  -1.829  0.00  0.00    +0.030 A 
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 4