REMARK  Name = BDB059423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.423  -0.596   0.577  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.070  -1.645  -0.216  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1        0.414  -2.946  -0.067  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.372  -3.221   0.909  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.856  -2.196   1.720  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        1.379  -0.892   1.561  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -1.636   3.986   1.491  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -0.964   2.842   0.821  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -0.512   2.791  -0.487  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1        0.053   1.548  -0.719  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1        0.621   1.240  -1.955  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1        0.603   2.144  -2.944  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1        0.031   3.378  -2.737  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1        0.009   4.064  -3.481  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -0.048   0.786   0.437  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -0.548   3.783  -1.544  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -1.036   4.904  -1.439  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -0.659   1.581   1.396  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  N   LIG    1        2.840  -2.446   2.718  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1        2.896  -1.793   3.500  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.353  -3.043   2.279  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1        5.147  -3.016   3.489  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1        4.199  -4.257   1.509  0.00  0.00    -0.155 OA
ATOM     24  C   LIG    1        4.972  -1.762   1.205  0.00  0.00    +0.218 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  O   LIG    1       -0.990  -1.413  -1.205  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.321  -1.574  -0.700  0.00  0.00    +0.232 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.271  -1.057  -1.736  0.00  0.00    +0.027 C 
ATOM     28  C   LIG    1       -4.649  -0.586  -1.351  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -3.613   0.410  -1.794  0.00  0.00    +0.007 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6