REMARK  Name = BDB015887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.119  -2.134  -0.139  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.426  -1.059   0.281  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.907  -1.188   0.443  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.567  -2.396   0.222  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.760  -3.434  -0.206  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.570  -3.334  -0.399  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.591  -0.563  -0.361  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.208  -0.729  -0.178  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.575  -1.980  -0.334  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.390  -3.073  -0.682  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.768  -2.926  -0.863  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.364  -1.677  -0.701  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.405   4.335  -0.357  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.558   2.909  -0.211  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.729   2.410   0.221  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.522   1.090   0.224  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.219   0.737  -0.199  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.622   1.951  -0.475  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.984  -2.596   0.444  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.833  -3.268  -0.411  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.073  -3.206   0.159  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.302  -3.743  -0.374  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.088  -2.566   1.341  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.819  -2.185   1.508  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.629  -0.047   0.881  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.462   0.041   0.280  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -0.984   1.206   1.158  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1       -1.995   2.295   1.569  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1       -1.940   2.860   0.134  0.00  0.00    +0.134 C 
ATOM     30  C   LIG    1       -0.656   2.035  -0.100  0.00  0.00    +0.048 C 
BRANCH  29  31
ATOM     31  S   LIG    1       -3.311   2.405  -0.940  0.00  0.00    -0.031 S 
ATOM     32  O   LIG    1       -3.614   0.994  -0.769  0.00  0.00    -0.174 OA
ATOM     33  O   LIG    1       -3.061   2.938  -2.267  0.00  0.00    -0.174 OA
ATOM     34  C   LIG    1       -4.666   3.325  -0.259  0.00  0.00    +0.194 C 
ENDBRANCH  29  31
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6