REMARK  Name = BDB058568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.203   0.830  -0.025  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -0.659   2.025  -0.510  0.00  0.00    +0.106 C 
ATOM      3  N   LIG    1       -1.964   2.112   0.176  0.00  0.00    -0.298 NA
ATOM      4  C   LIG    1       -2.726   0.859  -0.019  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.949  -0.376   0.487  0.00  0.00    +0.035 C 
ATOM      6  C   LIG    1       -0.579  -0.478  -0.201  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.762  -1.651   0.328  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1       -3.160  -2.367   1.467  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.913  -3.537   1.348  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -4.278  -4.007   0.090  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.890  -3.308  -1.051  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.138  -2.138  -0.934  0.00  0.00    +0.004 A 
ENDBRANCH   5   7
BRANCH   1  13
ATOM     13  N   LIG    1        1.453   0.771  -0.790  0.00  0.00    -0.311 N 
ATOM     14  H   LIG    1        1.637   1.596  -1.345  0.00  0.00    +0.149 HD
BRANCH  13  26
ATOM     15  C   LIG    1        3.766   0.908  -2.368  0.00  0.00    +0.155 C 
ATOM     16  N   LIG    1        3.754   0.213  -1.093  0.00  0.00    -0.282 N 
ATOM     17  C   LIG    1        4.959  -0.374  -0.690  0.00  0.00    +0.279 A 
ATOM     18  O   LIG    1        6.021  -0.293  -1.300  0.00  0.00    -0.265 OA
ATOM     19  C   LIG    1        4.826  -1.091   0.529  0.00  0.00    +0.130 A 
ATOM     20  C   LIG    1        3.656  -1.177   1.214  0.00  0.00    +0.097 A 
ATOM     21  C   LIG    1        3.851  -1.954   2.364  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        5.181  -2.335   2.348  0.00  0.00    +0.085 A 
ATOM     23  N   LIG    1        2.487  -0.560   0.795  0.00  0.00    -0.214 NA
ATOM     24  N   LIG    1        5.767  -1.801   1.222  0.00  0.00    -0.355 N 
ATOM     25  H   LIG    1        6.734  -1.910   0.940  0.00  0.00    +0.166 HD
ATOM     26  C   LIG    1        2.575   0.112  -0.326  0.00  0.00    +0.199 A 
ENDBRANCH  13  26
ENDBRANCH   1  13
BRANCH   3  27
ATOM     27  C   LIG    1       -2.766   3.261  -0.310  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.195   4.609   0.154  0.00  0.00    +0.171 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -1.950   4.578   1.558  0.00  0.00    -0.394 OA
ATOM     30  H   LIG    1       -1.714   3.649   1.756  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 6