REMARK  Name = BDB048273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.375  -1.102   2.326  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1        0.112  -1.082   2.051  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1       -0.827  -1.569   2.924  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1       -0.452  -2.127   4.206  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1       -2.144  -1.496   2.530  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1       -3.118  -1.867   3.171  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -2.235  -0.882   1.176  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1       -3.415  -0.688   0.571  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1       -0.666  -0.476   0.605  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.203   0.406  -0.410  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1        3.829  -0.944  -0.446  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        2.891  -1.441   0.463  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        2.301  -0.597   1.406  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1        2.685   0.745   1.454  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.622   1.247   0.547  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1        4.520   1.457  -2.665  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        5.200   0.949  -1.402  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  C   LIG    1       -3.630  -0.082  -0.748  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1       -4.404   1.075  -0.853  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -4.624   1.634  -2.107  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1       -4.123   1.095  -3.229  0.00  0.00    -0.241 NA
ATOM     22  C   LIG    1       -3.385  -0.029  -3.113  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1       -3.116  -0.653  -1.909  0.00  0.00    +0.028 A 
BRANCH  20  24
ATOM     24  N   LIG    1       -5.390   2.797  -2.233  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -4.960   3.548  -1.702  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -6.321   2.636  -1.864  0.00  0.00    +0.144 HD
ENDBRANCH  20  24
ENDBRANCH   8  18
TORSDOF 4