REMARK  Name = BDB059924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.427   0.404   0.070  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.604   1.578   0.166  0.00  0.00    +0.099 A 
ATOM      3  N   LIG    1       -0.760   1.366   0.279  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -1.363   2.588   0.423  0.00  0.00    +0.209 A 
ATOM      5  N   LIG    1       -0.500   3.574   0.347  0.00  0.00    -0.217 NA
ATOM      6  C   LIG    1       -1.348   0.091   0.275  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.597  -0.971   0.213  0.00  0.00    -0.224 NA
ATOM      8  C   LIG    1        0.735   2.961   0.188  0.00  0.00    +0.202 A 
ATOM      9  C   LIG    1        0.763  -0.778   0.114  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        5.385  -1.348   0.295  0.00  0.00    -0.303 NA
ATOM     11  C   LIG    1        4.269  -1.731  -0.581  0.00  0.00    +0.085 C 
ATOM     12  C   LIG    1        3.527  -0.523  -1.154  0.00  0.00    +0.023 C 
ATOM     13  C   LIG    1        2.956   0.397  -0.052  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1        3.614   0.118   1.309  0.00  0.00    +0.023 C 
ATOM     15  C   LIG    1        5.103  -0.167   1.129  0.00  0.00    +0.085 C 
BRANCH  10  17
ATOM     16  C   LIG    1        6.388  -3.644   0.273  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1        5.878  -2.471   1.105  0.00  0.00    +0.081 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  S   LIG    1        2.180   3.913   0.051  0.00  0.00    +0.013 S 
ATOM     19  O   LIG    1        2.629   3.708  -1.312  0.00  0.00    -0.168 OA
ATOM     20  O   LIG    1        2.983   3.545   1.200  0.00  0.00    -0.168 OA
ATOM     21  C   LIG    1        1.633   5.588   0.237  0.00  0.00    +0.202 C 
ENDBRANCH   8  18
BRANCH   6  22
ATOM     22  N   LIG    1       -2.715  -0.052   0.357  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.898  -1.018   0.624  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.515   0.244  -0.828  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.970   0.108  -0.495  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.638  -1.113  -0.519  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.138  -2.477  -0.814  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.473  -3.213  -0.935  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.485  -2.472  -0.217  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.978  -1.200  -0.159  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.709  -0.100   0.240  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.062   1.135   0.267  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.712   1.228  -0.095  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.119   2.431  -0.047  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6