REMARK  Name = BDB016009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.927   0.583  -0.160  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.383   0.350  -0.378  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.235   1.394  -0.354  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -0.788   2.697  -0.134  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.573   2.827   0.077  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        1.445   1.800   0.078  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.122  -1.502   0.012  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.234  -0.413   0.017  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.845  -0.574  -0.172  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.372  -1.885  -0.371  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.240  -2.979  -0.376  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.607  -2.788  -0.185  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        9.064  -1.993  -0.132  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.729  -1.518   0.138  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.560  -0.397   0.860  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.232  -0.255   0.905  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.545  -1.283   0.218  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.557  -2.085  -0.271  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -1.654   3.861  -0.138  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -1.564   4.921   0.742  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -2.562   5.788   0.399  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -2.875   7.048   1.029  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -3.303   5.366  -0.640  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -2.742   4.200  -0.974  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.602   1.139  -0.586  0.00  0.00    -0.324 N 
ATOM     26  H   LIG    1       -3.156   1.606   0.132  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.971  -0.267  -0.762  0.00  0.00    +0.089 C 
ATOM     28  C   LIG    1       -2.943  -1.097   0.534  0.00  0.00    +0.131 C 
ATOM     29  N   LIG    1       -4.068  -2.083   0.415  0.00  0.00    -0.180 NA
ATOM     30  C   LIG    1       -4.759  -1.816  -0.872  0.00  0.00    +0.111 C 
ATOM     31  C   LIG    1       -4.433  -0.365  -1.179  0.00  0.00    +0.040 C 
BRANCH  29  32
ATOM     32  S   LIG    1       -3.632  -3.686   0.745  0.00  0.00    +0.029 S 
ATOM     33  O   LIG    1       -3.018  -3.707   2.055  0.00  0.00    -0.158 OA
ATOM     34  O   LIG    1       -2.935  -4.197  -0.415  0.00  0.00    -0.158 OA
ATOM     35  C   LIG    1       -5.219  -4.484   0.866  0.00  0.00    +0.215 C 
ENDBRANCH  29  32
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6