REMARK  Name = BDB016469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.096   0.708   3.374  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1       -1.013   0.225   2.066  0.00  0.00    +0.136 A 
ATOM      3  N   LIG    1       -2.110  -0.134   1.370  0.00  0.00    -0.212 NA
ATOM      4  C   LIG    1       -3.305  -0.039   1.985  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -3.481   0.369   3.254  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -2.367   0.737   3.915  0.00  0.00    +0.131 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.500  -0.480   1.244  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -4.825  -0.049  -0.070  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -5.968  -0.588  -0.701  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.798  -1.502  -0.052  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.504  -1.901   1.243  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.370  -1.396   1.879  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.987   0.983  -0.823  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -4.828   2.150  -1.356  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -3.203   0.321  -1.959  0.00  0.00    +0.012 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1        0.749   2.731   3.467  0.00  0.00    +0.090 C 
ATOM     17  S   LIG    1        0.298   1.218   4.361  0.00  0.00    -0.124 S 
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1        0.244   0.168   1.431  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        0.926  -0.222   2.078  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.258  -0.519   0.148  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.686  -0.595  -0.344  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.330   0.551  -0.826  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.655   0.490  -1.268  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        4.374  -0.715  -1.237  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        3.722  -1.858  -0.745  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        2.397  -1.800  -0.302  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.770  -0.779  -1.702  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1        6.785  -1.295  -0.880  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        8.110  -1.355  -1.321  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.442  -0.901  -2.595  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.451  -0.386  -3.427  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.127  -0.326  -2.983  0.00  0.00    +0.008 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7