REMARK  Name = BDB015584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.431   1.334   0.451  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.178   2.575   0.870  0.00  0.00    -0.176 NA
ATOM      3  C   LIG    1       -0.131   2.883   0.944  0.00  0.00    +0.183 A 
ATOM      4  C   LIG    1       -1.173   2.049   0.617  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -0.797   0.795   0.198  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1        0.500   0.426   0.108  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.804  -0.221  -0.194  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.531  -1.027  -1.237  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.416  -2.001  -1.673  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.036  -2.811  -2.821  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.650  -2.219  -1.066  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -4.463  -3.064  -1.433  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.960  -1.345   0.112  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.267  -1.581   0.799  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.069  -0.415   0.497  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   3  16
ATOM     16  S   LIG    1       -0.471   4.541   1.476  0.00  0.00    +0.011 S 
ATOM     17  O   LIG    1       -0.612   4.499   2.920  0.00  0.00    -0.168 OA
ATOM     18  O   LIG    1       -1.551   5.035   0.640  0.00  0.00    -0.168 OA
ATOM     19  C   LIG    1        0.985   5.471   1.075  0.00  0.00    +0.202 C 
ENDBRANCH   3  16
BRANCH   1  20
ATOM     20  O   LIG    1        2.780   1.012   0.358  0.00  0.00    -0.422 OA
BRANCH  20  23
ATOM     21  C   LIG    1        3.431  -0.820   2.435  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        3.429  -1.206   0.983  0.00  0.00    -0.007 A 
ATOM     23  C   LIG    1        3.074  -0.282  -0.016  0.00  0.00    +0.152 A 
ATOM     24  C   LIG    1        3.091  -0.649  -1.371  0.00  0.00    +0.094 A 
ATOM     25  C   LIG    1        3.424  -1.961  -1.725  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        3.748  -2.892  -0.738  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.750  -2.517   0.606  0.00  0.00    +0.007 A 
BRANCH  24  28
ATOM     28  C   LIG    1        2.766   0.293  -2.401  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1        2.491   1.048  -3.239  0.00  0.00    -0.191 NA
ENDBRANCH  24  28
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5