REMARK  Name = BDB012674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.993   0.576   0.182  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.495   1.896  -0.047  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.878   1.819   0.188  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.728   2.932   0.087  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.150   4.152  -0.276  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.214   4.242  -0.522  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -0.738   5.426  -0.869  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.106   0.500   0.497  0.00  0.00    -0.259 N 
ATOM      9  C   LIG    1       -1.055   3.135  -0.415  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1       -0.010  -0.247   0.548  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.308   0.275   0.051  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.938   1.032  -0.218  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1       -4.423  -0.995   0.059  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -3.020  -0.937   0.197  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -2.404  -2.153   0.501  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -3.044  -3.343   0.666  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -4.379  -3.343   0.524  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -5.106  -2.211   0.225  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -6.502   0.152  -0.347  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -5.287   0.174  -0.261  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.618   1.325  -0.472  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -5.343   1.959  -0.672  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1        2.379  -0.102   0.867  0.00  0.00    +0.175 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.321  -0.290  -0.329  0.00  0.00    +0.140 C 
ATOM     25  O   LIG    1        2.868  -1.383  -1.151  0.00  0.00    -0.375 OA
ATOM     26  C   LIG    1        3.769  -2.489  -1.013  0.00  0.00    +0.160 C 
ATOM     27  C   LIG    1        4.672  -2.174   0.158  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1        4.730  -0.667   0.110  0.00  0.00    +0.035 C 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6