REMARK  Name = BDB012671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.950  -0.924   0.522  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1        0.434  -2.190   0.409  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -0.925  -1.996   0.162  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.755  -3.123  -0.007  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -1.181  -4.391   0.079  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        0.176  -4.566   0.323  0.00  0.00    +0.040 A 
ATOM      7  F   LIG    1       -1.960  -5.470  -0.081  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -1.109  -0.578   0.146  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        1.017  -3.464   0.493  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1        0.044   0.056   0.367  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -2.325  -0.020  -0.072  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -3.106  -0.663  -0.222  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.746   1.330  -0.138  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -4.096   1.669  -0.380  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -4.497   3.011  -0.441  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -3.542   3.990  -0.260  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -2.246   3.724  -0.027  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -1.883   2.414   0.028  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -5.106   0.597  -0.572  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -4.881  -0.602  -0.543  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -6.349   1.063  -0.791  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -6.898   0.257  -0.898  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1        2.333  -0.561   0.784  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.129  -0.392  -0.510  0.00  0.00    +0.023 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.583   0.022  -0.266  0.00  0.00    +0.002 C 
BRANCH  25  27
ATOM     26  C   LIG    1        4.119   2.363   0.676  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        4.842   1.528  -0.366  0.00  0.00    -0.003 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8