REMARK  Name = BDB048246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.342   1.252  -0.162  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.675   0.057  -0.459  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        0.625  -0.131   0.007  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.258   0.858   0.748  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        2.632   0.612   1.225  0.00  0.00    +0.263 A 
ATOM      6  N   LIG    1        3.238  -0.599   0.858  0.00  0.00    -0.284 N 
ATOM      7  C   LIG    1        2.577  -1.591   0.134  0.00  0.00    +0.161 A 
ATOM      8  S   LIG    1        3.162  -3.103  -0.298  0.00  0.00    -0.013 S 
ATOM      9  O   LIG    1        3.166   1.472   1.923  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        0.600   2.062   1.026  0.00  0.00    +0.016 A 
ATOM     11  N   LIG    1        1.297  -1.318  -0.268  0.00  0.00    -0.335 N 
ATOM     12  H   LIG    1        0.837  -2.043  -0.809  0.00  0.00    +0.168 HD
ATOM     13  C   LIG    1       -0.701   2.263   0.561  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  19
ATOM     14  C   LIG    1       -7.338  -1.145   0.840  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1       -5.984  -1.228   0.300  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -5.862  -0.523  -0.994  0.00  0.00    +0.103 C 
ATOM     17  C   LIG    1       -5.032   0.774  -0.963  0.00  0.00    +0.123 C 
ATOM     18  N   LIG    1       -3.707   0.570  -0.377  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1       -2.712   1.495  -0.666  0.00  0.00    +0.247 C 
ATOM     20  O   LIG    1       -2.903   2.513  -1.326  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1       -3.620  -0.457   0.670  0.00  0.00    +0.123 C 
ATOM     22  C   LIG    1       -4.996  -0.764   1.292  0.00  0.00    +0.103 C 
ENDBRANCH   1  19
BRANCH   6  23
ATOM     23  C   LIG    1        4.627  -0.769   1.313  0.00  0.00    +0.162 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.647  -0.342   0.272  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1        6.442  -1.293  -0.386  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        7.377  -0.900  -1.347  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        7.530   0.449  -1.654  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        8.682   0.932  -2.837  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        6.758   1.409  -1.005  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.822   1.015  -0.045  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 3