REMARK  Name = BDB058514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.047  -0.469  -0.714  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.022  -1.392  -0.544  0.00  0.00    +0.027 A 
ATOM      3  S   LIG    1       -0.592  -3.002  -0.749  0.00  0.00    -0.091 S 
ATOM      4  C   LIG    1       -2.195  -2.488  -1.047  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -2.295  -1.113  -1.002  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -0.504   3.784  -0.363  0.00  0.00    -0.042 A 
ATOM      7  C   LIG    1       -1.427   3.092   0.439  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.602   1.707   0.321  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.852   0.973  -0.601  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        0.062   1.643  -1.414  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        0.234   3.026  -1.293  0.00  0.00    +0.005 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -1.168   5.990   0.808  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -0.282   5.302  -0.255  0.00  0.00    -0.013 C 
ATOM     14  C   LIG    1       -0.595   5.971  -1.611  0.00  0.00    +0.015 C 
ATOM     15  C   LIG    1        1.188   5.585   0.123  0.00  0.00    +0.015 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  C   LIG    1        1.393  -1.192  -0.200  0.00  0.00    -0.011 A 
ATOM     17  C   LIG    1        1.748  -0.533   0.980  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        3.093  -0.318   1.308  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.128  -0.756   0.467  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1        3.756  -1.420  -0.717  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        2.412  -1.634  -1.047  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.615  -0.537   0.795  0.00  0.00    -0.013 C 
ATOM     23  C   LIG    1        6.332  -1.900   0.894  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        6.273   0.304  -0.321  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1        5.858   0.205   2.129  0.00  0.00    +0.015 C 
ENDBRANCH  19  22
ENDBRANCH   2  16
BRANCH   4  26
ATOM     26  C   LIG    1       -3.280  -3.492  -1.331  0.00  0.00    +0.127 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.754  -4.179  -0.120  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -4.376  -3.248   0.844  0.00  0.00    +0.100 C 
ATOM     29  C   LIG    1       -5.404  -3.931   1.771  0.00  0.00    +0.096 C 
ATOM     30  N   LIG    1       -6.544  -4.524   1.053  0.00  0.00    -0.314 NA
ATOM     31  H   LIG    1       -7.292  -3.837   0.967  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -6.158  -4.970  -0.297  0.00  0.00    +0.096 C 
ATOM     33  C   LIG    1       -4.657  -5.301  -0.446  0.00  0.00    +0.100 C 
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 6