REMARK  Name = BDB028560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.265   3.141  -0.148  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.429   2.298  -0.224  0.00  0.00    -0.448 OA
BRANCH   2   4
ATOM      3  O   LIG    1        0.865   1.678  -2.342  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1        1.615   1.602  -1.377  0.00  0.00    +0.403 C 
ATOM      5  N   LIG    1        2.739   0.799  -1.330  0.00  0.00    -0.263 N 
ATOM      6  C   LIG    1        3.686   0.893  -0.225  0.00  0.00    +0.146 C 
ATOM      7  C   LIG    1        4.732  -0.199  -0.192  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1        4.783  -1.205  -1.172  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        5.757  -2.209  -1.091  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        6.693  -2.202  -0.058  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        6.656  -1.199   0.907  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.756  -1.235  -2.274  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        5.681  -0.204   0.843  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.203   0.159  -2.552  0.00  0.00    +0.116 C 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.851   2.480   0.683  0.00  0.00    +0.166 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.338   2.178   1.991  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1       -0.004   3.007   2.373  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.388   1.193   0.014  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.749   0.788   0.447  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.217  -0.313  -0.424  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -4.533  -0.926   0.006  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.994  -0.790   1.326  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -6.197  -1.396   1.711  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.928  -2.154   0.797  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.465  -2.308  -0.508  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.226   0.062   2.301  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -5.272  -1.700  -0.901  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.784   0.345   1.850  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6