REMARK  Name = BDB053729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.470  -0.208   1.235  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        0.404  -1.283   2.148  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -0.723  -2.048   1.851  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -0.953  -3.245   2.552  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -0.058  -3.572   3.565  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        1.013  -2.732   3.810  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.376  -1.426   0.788  0.00  0.00    -0.278 N 
ATOM      8  N   LIG    1        1.286  -1.607   3.128  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -0.643  -0.298   0.406  0.00  0.00    +0.221 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.599   1.644   2.090  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.506   0.807   1.195  0.00  0.00    +0.254 C 
ATOM     12  N   LIG    1        2.349   0.805   0.086  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.336   1.873  -0.048  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        3.698   2.128  -1.521  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.181   0.947  -2.263  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        3.804   0.990  -3.210  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        3.774  -0.316  -1.628  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.414  -0.270  -0.908  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.607  -1.858   0.196  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.812  -1.741  -1.186  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.016  -2.162  -1.756  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.023  -2.693  -0.954  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.832  -2.801   0.422  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.629  -2.385   0.998  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  O   LIG    1       -1.085   0.477  -0.595  0.00  0.00    -0.436 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.870   1.831  -0.623  0.00  0.00    +0.165 A 
ATOM     27  C   LIG    1       -0.430   2.396  -1.819  0.00  0.00    +0.165 A 
ATOM     28  F   LIG    1       -0.181   1.617  -2.882  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -0.227   3.769  -1.926  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -0.477   4.590  -0.827  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -0.939   4.033   0.368  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.147   2.655   0.469  0.00  0.00    +0.049 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4