REMARK  Name = BDB048846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.298  -0.004  -0.587  0.00  0.00    +0.055 C 
ATOM      2  C   LIG    1       -1.561   0.103   0.760  0.00  0.00    +0.013 C 
ATOM      3  C   LIG    1       -0.445   1.146   0.757  0.00  0.00    +0.019 C 
ATOM      4  C   LIG    1        0.593   0.945  -0.373  0.00  0.00    +0.057 C 
ATOM      5  C   LIG    1       -0.009   0.239  -1.607  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -1.491   0.561  -1.764  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  15
ATOM      7  O   LIG    1       -4.982   3.846   0.083  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1       -4.946   2.647  -0.167  0.00  0.00    +0.259 A 
ATOM      9  C   LIG    1       -6.161   1.853  -0.401  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1       -5.994   0.494  -0.681  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -7.130  -0.284  -0.908  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -8.406   0.287  -0.855  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -8.556   1.646  -0.574  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -4.729  -0.115  -0.742  0.00  0.00    -0.233 NA
ATOM     15  C   LIG    1       -3.686   0.621  -0.527  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1       -7.431   2.437  -0.345  0.00  0.00    +0.015 A 
ATOM     17  N   LIG    1       -3.762   1.958  -0.247  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.934   2.510  -0.084  0.00  0.00    +0.170 HD
ENDBRANCH   1  15
BRANCH   4  19
ATOM     19  N   LIG    1        1.867   0.378   0.108  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.921   0.386  -0.917  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        4.296   0.106  -0.288  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        4.273  -1.095   0.625  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1        3.096  -1.560   1.084  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1        1.766  -0.941   0.747  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.559  -1.722   0.996  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        6.668  -0.934   1.333  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        7.891  -1.523   1.668  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.022  -2.909   1.665  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.932  -3.707   1.326  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.710  -3.117   0.992  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 3