REMARK  Name = BDB034857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.254   1.565  -1.833  0.00  0.00    -0.302 N 
ATOM      2  C   LIG    1       -0.015   2.106  -1.545  0.00  0.00    +0.150 C 
ATOM      3  N   LIG    1        1.190   1.675  -1.481  0.00  0.00    -0.155 NA
ATOM      4  S   LIG    1       -0.183   3.835  -1.152  0.00  0.00    -0.091 S 
ATOM      5  C   LIG    1       -1.963   3.675  -0.890  0.00  0.00    +0.096 C 
ATOM      6  C   LIG    1       -2.361   2.529  -1.806  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.464   0.404  -1.870  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1        1.304  -0.029  -3.006  0.00  0.00    -0.268 OA
BRANCH   7   9
ATOM      9  C   LIG    1        2.013  -0.426  -0.796  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        2.094  -0.190   0.619  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        2.677  -1.320   1.188  0.00  0.00    +0.139 A 
ATOM     12  N   LIG    1        2.927  -1.556   2.489  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1        2.556  -0.532   3.291  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1        1.968   0.651   2.869  0.00  0.00    +0.020 A 
ATOM     15  N   LIG    1        2.969  -2.200   0.188  0.00  0.00    -0.345 N 
ATOM     16  H   LIG    1        3.416  -3.092   0.343  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1        1.725   0.837   1.508  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        2.561  -1.686  -1.012  0.00  0.00    +0.098 A 
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.614   0.170  -1.551  0.00  0.00    +0.202 C 
BRANCH  19  22
ATOM     20  C   LIG    1       -1.365  -1.726   1.788  0.00  0.00    +0.131 C 
ATOM     21  N   LIG    1       -1.545  -1.440   0.372  0.00  0.00    -0.306 N 
ATOM     22  C   LIG    1       -1.666  -0.115  -0.036  0.00  0.00    +0.232 C 
ATOM     23  O   LIG    1       -1.834   0.802   0.773  0.00  0.00    -0.274 OA
ATOM     24  C   LIG    1       -1.411  -2.575  -0.528  0.00  0.00    +0.131 C 
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 4