REMARK  Name = BDB058589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.546   0.626   0.150  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1       -2.618   1.982   0.178  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1       -1.354   2.398   0.166  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -0.423   1.342   0.132  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -1.220   0.217   0.123  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1       -8.329  -1.150   0.194  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -7.404  -0.347   0.194  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -5.993  -0.778   0.171  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -4.997   0.210   0.173  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -3.676  -0.262   0.151  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1       -3.368  -1.604   0.129  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1       -4.373  -2.500   0.127  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1       -5.352   1.575   0.196  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1       -6.594   1.903   0.215  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1       -5.699  -2.141   0.148  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1       -7.616   1.004   0.214  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -8.577   1.312   0.230  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.074   1.441   0.112  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        1.663   0.915  -1.208  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1        3.137   0.555  -1.030  0.00  0.00    +0.085 C 
ATOM     21  N   LIG    1        3.333  -0.548  -0.076  0.00  0.00    -0.302 NA
ATOM     22  C   LIG    1        2.316  -0.593   0.985  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1        1.730   0.773   1.335  0.00  0.00    +0.023 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.694  -0.572   0.471  0.00  0.00    +0.088 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.700  -0.853  -0.608  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        6.477   0.259  -1.268  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        7.171  -0.679  -0.322  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   4  18
TORSDOF 4