REMARK  Name = BDB052595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.541  -1.273  -0.081  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.144  -1.326   0.098  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        0.369  -2.519   0.584  0.00  0.00    +0.233 A 
ATOM      4  O   LIG    1        1.716  -2.432   0.721  0.00  0.00    -0.436 OA
ATOM      5  C   LIG    1        2.103  -1.191   0.301  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -0.307  -3.632   0.894  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -1.613  -3.485   0.666  0.00  0.00    +0.227 A 
ATOM      8  C   LIG    1        0.986  -0.462  -0.087  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1       -2.252  -2.396   0.204  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.646  -0.098   0.866  0.00  0.00    +0.118 C 
ATOM     11  C   LIG    1       -4.691   0.145  -0.635  0.00  0.00    +0.050 C 
ATOM     12  C   LIG    1       -3.428  -0.371  -1.321  0.00  0.00    +0.109 C 
ATOM     13  N   LIG    1       -2.210  -0.127  -0.533  0.00  0.00    -0.314 N 
ATOM     14  C   LIG    1       -2.329   0.901   0.510  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -3.431   0.565   1.516  0.00  0.00    +0.050 C 
BRANCH  10  16
ATOM     16  O   LIG    1       -5.830   0.418   1.474  0.00  0.00    -0.392 OA
ATOM     17  H   LIG    1       -6.581  -0.096   1.128  0.00  0.00    +0.210 HD
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1        3.547  -0.964   0.344  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        4.195  -0.210  -0.645  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        5.575   0.005  -0.590  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.326  -0.535   0.451  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.699  -1.294   1.436  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.320  -1.508   1.381  0.00  0.00    +0.011 A 
ENDBRANCH   5  18
BRANCH   8  24
ATOM     24  C   LIG    1        1.030   0.907  -0.573  0.00  0.00    -0.014 A 
ATOM     25  C   LIG    1        1.575   1.927   0.219  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        1.612   3.241  -0.253  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        1.102   3.544  -1.514  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        0.553   2.535  -2.305  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        0.517   1.221  -1.837  0.00  0.00    +0.008 A 
ENDBRANCH   8  24
TORSDOF 4