REMARK  Name = BDB052843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.229  -0.310  -0.743  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.618  -1.535  -0.196  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1        0.524  -2.323  -0.002  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        1.608  -1.635  -0.557  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        2.881  -2.249  -0.571  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        3.048  -3.523  -0.025  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.962  -4.202   0.510  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.688  -3.626   0.516  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        1.123  -0.385  -1.036  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.862   0.644  -1.750  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.864   1.326  -1.064  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.122   1.264   0.377  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.618   1.442   0.692  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.246   2.647   0.124  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.443   3.322   0.862  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.413   3.287  -0.905  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.665   2.295  -1.813  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.612   0.875  -2.932  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.950  -1.972   0.055  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.280  -2.572   1.276  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.589  -2.998   1.508  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.563  -2.834   0.523  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.232  -2.243  -0.696  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.926  -1.812  -0.933  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.030   0.745  -0.960  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -0.501   1.018   2.009  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -1.799   1.316   1.315  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.989   1.196  -0.075  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -3.198   1.626  -0.665  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -3.375   1.670  -2.159  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -4.239   2.088   0.152  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -4.086   2.128   1.533  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -2.875   1.751   2.108  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4