REMARK  Name = BDB059119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.759  -1.004   0.350  0.00  0.00    +0.121 C 
ATOM      2  C   LIG    1       -0.782  -1.965  -0.844  0.00  0.00    +0.167 C 
ATOM      3  C   LIG    1        0.236  -1.351  -1.808  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        1.382  -0.945  -0.872  0.00  0.00    +0.084 C 
ATOM      5  C   LIG    1        0.704  -0.515   0.439  0.00  0.00    +0.045 C 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.048   1.226   0.777  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -3.713   1.130   0.362  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1       -2.794   1.948  -0.348  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -1.602   1.260  -0.441  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1       -1.753   0.055   0.204  0.00  0.00    -0.326 N 
ATOM     11  C   LIG    1       -3.039  -0.039   0.688  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1       -3.548  -1.088   1.353  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -4.830  -0.882   1.700  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -5.597   0.196   1.449  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -5.858   2.322   0.518  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -6.834   2.080   0.648  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -5.629   2.829  -0.325  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -0.322  -3.263  -0.444  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -0.071  -3.709  -1.280  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        0.648  -2.318  -2.772  0.00  0.00    -0.388 OA
ATOM     21  H   LIG    1        1.330  -1.889  -3.323  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  S   LIG    1        2.395   0.371  -1.647  0.00  0.00    -0.119 S 
BRANCH  22  23
ATOM     23  C   LIG    1        3.656   0.586  -0.404  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        4.489  -0.469  -0.015  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        5.474  -0.268   0.956  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        5.632   0.990   1.533  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        6.844   1.237   2.728  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        4.817   2.051   1.143  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        3.833   1.849   0.171  0.00  0.00    +0.016 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6