REMARK  Name = BDB059376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.115   1.066   0.581  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.079   0.179   1.031  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.859  -0.818   1.071  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.406   2.128   0.037  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.622   0.892   0.045  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -2.270   1.230  -0.080  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -1.302   0.655   0.755  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -1.694  -0.261   1.734  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.038  -0.597   1.842  0.00  0.00    +0.128 A 
ATOM     10  F   LIG    1       -3.414  -1.482   2.775  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -4.003  -0.039   1.008  0.00  0.00    +0.084 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -4.449   1.517  -0.845  0.00  0.00    -0.488 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -5.861   1.464  -0.637  0.00  0.00    +0.256 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -7.423   0.471  -2.340  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -6.450   0.333  -1.429  0.00  0.00    +0.006 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        2.513   0.470   0.534  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        2.538   1.389   0.059  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.103  -0.709  -0.562  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        3.063  -0.152  -1.894  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        2.401  -1.938  -0.235  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.779  -0.881  -0.070  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        5.598   0.240  -0.085  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1        5.124   1.439  -0.446  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        6.934   0.135   0.291  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        7.449  -1.101   0.685  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        6.625  -2.230   0.700  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.285  -2.124   0.322  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 7