REMARK  Name = BDB034847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.066  -2.189   1.831  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.952  -2.261   1.051  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -1.566  -1.427   0.135  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1       -2.526  -2.079  -0.759  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -3.133  -3.233   0.025  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1       -1.775  -3.843   1.058  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.586  -0.024   0.137  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.765   0.703   1.323  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -1.781   2.101   1.322  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -1.625   2.785   0.123  0.00  0.00    +0.117 A 
ATOM     11  C   LIG    1       -1.459   2.093  -1.068  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -1.444   0.696  -1.061  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  O   LIG    1       -1.626   4.146   0.076  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1       -1.718   4.486   0.982  0.00  0.00    +0.292 HD
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  O   LIG    1        0.789  -0.186   2.658  0.00  0.00    -0.268 OA
ATOM     16  C   LIG    1        0.825  -1.054   1.794  0.00  0.00    +0.271 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.735  -0.990   0.647  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        2.376   0.180   0.126  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.132  -0.217  -0.972  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        3.886   0.554  -1.776  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        3.862   1.860  -1.421  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        3.154   2.398  -0.356  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        2.986  -1.567  -1.119  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        3.446  -2.101  -1.842  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        2.389   1.550   0.445  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        2.138  -2.050  -0.158  0.00  0.00    +0.098 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4