REMARK  Name = BDB014711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.445   2.457   2.826  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.316   1.795   1.787  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.686   0.965   0.867  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.218   0.950   0.696  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.782  -0.253  -0.061  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.487  -0.753  -0.367  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.580  -1.874  -1.091  0.00  0.00    -0.156 NA
ATOM      8  N   LIG    1       -1.897  -2.104  -1.227  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1       -2.336  -3.272  -1.950  0.00  0.00    +0.172 C 
ATOM     10  C   LIG    1       -2.658  -1.142  -0.645  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -4.135  -1.035  -0.598  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -4.506   0.418  -0.236  0.00  0.00    +0.114 C 
ATOM     13  O   LIG    1       -5.531   1.991   1.788  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  14
ATOM     14  N   LIG    1        0.644  -0.116   0.027  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1        0.539   0.754   0.532  0.00  0.00    +0.154 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.004  -0.493  -0.058  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.984   0.467   0.239  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        4.345   0.152   0.137  0.00  0.00    +0.090 A 
ATOM     19  C   LIG    1        4.760  -1.124  -0.241  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        3.798  -2.078  -0.553  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.437  -1.759  -0.472  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  S   LIG    1        5.560   1.385   0.525  0.00  0.00    -0.006 S 
ATOM     23  O   LIG    1        6.711   0.703   1.085  0.00  0.00    -0.170 OA
ATOM     24  O   LIG    1        4.893   2.444   1.259  0.00  0.00    -0.170 OA
ATOM     25  C   LIG    1        6.013   2.025  -1.067  0.00  0.00    +0.200 C 
ENDBRANCH  18  22
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 3