REMARK  Name = BDB052838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.728   0.922   0.357  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.846   2.216  -0.153  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1        0.346   2.907   0.088  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        1.219   2.030   0.738  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        2.497   2.492   1.127  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.875   3.810   0.866  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.988   4.681   0.250  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.714   4.252  -0.134  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.541   0.786   0.903  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.049  -0.387   1.599  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.000  -1.154   0.933  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.586  -2.311   1.603  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        2.551  -3.568   0.709  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        2.731  -3.342  -0.742  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        1.796  -3.316  -1.155  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.349  -2.030  -0.988  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.514  -0.868  -0.411  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.666  -0.655   2.736  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.990   2.732  -0.843  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -1.829   3.565  -1.958  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -2.946   4.062  -2.633  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.229   3.730  -2.203  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.397   2.894  -1.102  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.284   2.392  -0.423  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.749   0.060   0.244  0.00  0.00    -0.435 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -1.805  -2.273   0.786  0.00  0.00    +0.162 A 
ATOM     27  C   LIG    1       -1.518  -1.246  -0.119  0.00  0.00    +0.172 A 
ATOM     28  C   LIG    1       -1.079  -1.533  -1.415  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1       -0.892  -2.858  -1.804  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.154  -3.889  -0.901  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -1.615  -3.599   0.388  0.00  0.00    +0.049 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -1.987  -2.765   3.090  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -2.304  -1.901   2.005  0.00  0.00    -0.491 OA
ENDBRANCH  26  33
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 5