REMARK  Name = BDB061762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.450   0.315   0.451  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.526  -0.216   1.734  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.251   0.246   2.723  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.421  -1.244   2.016  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.267  -1.725   1.013  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.241  -1.168  -0.276  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.313  -0.151  -0.551  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.786   1.037   0.582  0.00  0.00    -0.297 NA
ATOM      9  C   LIG    1        3.943  -0.076   0.110  0.00  0.00    +0.071 C 
ATOM     10  C   LIG    1        3.892  -0.252  -1.417  0.00  0.00    +0.026 C 
ATOM     11  C   LIG    1        2.506   0.022   0.689  0.00  0.00    +0.126 C 
ATOM     12  N   LIG    1        1.830   1.279   0.346  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        0.466   1.423   0.125  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.032   2.430  -0.376  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.690   2.430   0.090  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1        4.080   2.321   0.738  0.00  0.00    +0.103 C 
BRANCH   8  17
ATOM     17  C   LIG    1        6.120   1.171   0.000  0.00  0.00    +0.084 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.285  -0.362   1.674  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        7.030  -0.049   0.205  0.00  0.00    +0.012 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1       -3.166  -1.670  -1.369  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.578  -1.694  -0.983  0.00  0.00    -0.289 N 
ATOM     22  C   LIG    1       -5.357  -0.496  -0.946  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -6.700  -0.558  -0.553  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -7.503   0.590  -0.495  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.967   1.828  -0.833  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.636   1.912  -1.228  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -7.281  -1.860  -0.194  0.00  0.00    +0.262 A 
ATOM     28  O   LIG    1       -8.446  -1.975   0.169  0.00  0.00    -0.267 OA
ATOM     29  N   LIG    1       -6.444  -2.935  -0.287  0.00  0.00    -0.274 N 
ATOM     30  H   LIG    1       -6.828  -3.832  -0.032  0.00  0.00    +0.173 HD
ATOM     31  C   LIG    1       -4.838   0.762  -1.286  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -5.125  -2.921  -0.639  0.00  0.00    +0.330 A 
ATOM     33  O   LIG    1       -4.492  -3.977  -0.625  0.00  0.00    -0.246 OA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5