REMARK  Name = BDB064964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.053  -2.816   0.162  0.00  0.00    +0.055 C 
ATOM      2  C   LIG    1        0.325  -1.304   0.248  0.00  0.00    +0.109 C 
ATOM      3  O   LIG    1       -0.639  -0.727   1.158  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.853  -0.362   0.650  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -2.148  -0.311  -0.711  0.00  0.00    -0.002 A 
ATOM      6  C   LIG    1       -3.438   0.064  -1.116  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -4.417   0.410  -0.179  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -4.103   0.376   1.178  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -1.121  -0.685  -1.734  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -2.822  -0.009   1.588  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        0.274  -0.620  -1.129  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   7  12
ATOM     12  O   LIG    1       -5.623   0.759  -0.720  0.00  0.00    -0.487 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -6.660   1.120   0.187  0.00  0.00    +0.264 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -7.888   1.462  -0.624  0.00  0.00    -0.010 A 
ATOM     15  C   LIG    1       -8.098   2.774  -1.077  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -9.224   3.084  -1.841  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1      -10.133   2.083  -2.161  0.00  0.00    +0.123 A 
ATOM     18  F   LIG    1      -11.213   2.383  -2.895  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -9.936   0.775  -1.734  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -8.812   0.462  -0.970  0.00  0.00    +0.010 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
BRANCH   2  21
ATOM     21  C   LIG    1        1.694  -1.048   0.928  0.00  0.00    +0.053 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.918  -1.560   0.174  0.00  0.00    +0.053 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.155  -1.290   0.986  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1        4.834  -2.273   1.486  0.00  0.00    -0.193 NA
BRANCH  24  25
ATOM     25  N   LIG    1        5.961  -1.924   2.185  0.00  0.00    -0.216 N 
ATOM     26  H   LIG    1        6.273  -2.647   2.832  0.00  0.00    +0.176 HD
BRANCH  25  27
ATOM     27  C   LIG    1        6.976  -1.135   1.722  0.00  0.00    +0.179 A 
ATOM     28  S   LIG    1        8.494  -1.157   2.540  0.00  0.00    -0.051 S 
ATOM     29  C   LIG    1        9.126  -0.011   1.426  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        8.133   0.314   0.502  0.00  0.00    +0.080 A 
ATOM     31  C   LIG    1        8.432   1.244  -0.514  0.00  0.00    +0.029 A 
ATOM     32  C   LIG    1        9.705   1.819  -0.580  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       10.680   1.480   0.353  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       10.409   0.560   1.371  0.00  0.00    +0.017 A 
ATOM     35  N   LIG    1        6.921  -0.327   0.685  0.00  0.00    -0.224 NA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 8