REMARK  Name = BDB034867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.846  -2.331   0.816  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.420  -2.384   0.604  0.00  0.00    +0.149 C 
ATOM      3  N   LIG    1       -1.439  -1.437   0.554  0.00  0.00    -0.309 N 
ATOM      4  C   LIG    1       -2.793  -1.837   0.952  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1       -3.393  -2.839  -0.032  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -2.363  -3.685  -0.764  0.00  0.00    +0.078 C 
ATOM      7  S   LIG    1       -0.947  -4.063   0.288  0.00  0.00    -0.093 S 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.228  -0.044   0.125  0.00  0.00    +0.075 C 
ATOM      9  C   LIG    1       -1.549   0.969   1.228  0.00  0.00    +0.022 C 
ATOM     10  C   LIG    1       -1.099   2.378   0.827  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -1.152   2.627  -0.683  0.00  0.00    +0.000 C 
ATOM     12  C   LIG    1       -2.226   1.788  -1.365  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -2.007   0.283  -1.164  0.00  0.00    +0.022 C 
ENDBRANCH   3   8
BRANCH   1  15
ATOM     14  O   LIG    1        1.133  -0.547   2.231  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        1.424  -1.165   1.214  0.00  0.00    +0.271 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.473  -0.720   0.295  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        3.213   0.506   0.361  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        4.085   0.521  -0.723  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        4.962   1.483  -1.060  0.00  0.00    -0.237 NA
ATOM     20  C   LIG    1        4.951   2.529  -0.202  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        4.139   2.650   0.918  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        3.909  -0.638  -1.423  0.00  0.00    -0.345 N 
ATOM     23  H   LIG    1        4.434  -0.873  -2.253  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        3.245   1.622   1.217  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        2.935  -1.395  -0.830  0.00  0.00    +0.098 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 3