REMARK  Name = BDB013177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.336  -0.140   0.381  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -2.154  -1.445  -0.140  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.925  -2.031   0.051  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.023  -3.267  -0.519  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -2.218  -3.424  -1.043  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.138  -1.398   0.714  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.043  -0.192   1.185  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.934  -2.272  -0.804  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.271   0.410   1.000  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.177   0.479   2.707  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.428   0.958   1.305  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -3.575   0.642   0.252  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -3.971   1.119  -0.988  0.00  0.00    +0.123 A 
ATOM     14  N   LIG    1       -5.071   1.871  -1.199  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1       -5.808   2.128  -0.111  0.00  0.00    +0.221 A 
ATOM     16  N   LIG    1       -5.541   1.714   1.137  0.00  0.00    -0.240 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1        1.335  -2.069   0.850  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.510  -2.868   0.249  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.567  -1.391   1.219  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.220  -0.789   0.008  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.367   0.582  -0.172  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.014   1.714   0.718  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        3.180   2.868  -0.270  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        4.081   2.457  -1.324  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        3.997   1.089  -1.304  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        4.506   0.276  -2.296  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.358  -1.102  -2.145  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        3.722  -1.617  -1.008  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        3.587  -2.947  -0.896  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4