REMARK  Name = BDB013095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.906  -0.136  -0.137  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.234  -0.316  -1.378  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.885  -0.056  -1.409  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.491  -0.331  -2.686  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.528  -0.705  -3.402  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.158   0.385  -0.295  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.782   0.549   0.841  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.629  -0.698  -2.575  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.138   0.295   0.889  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        7.046  -0.825   0.476  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1        6.171  -1.280   1.405  0.00  0.00    -0.244 NA
ATOM     12  C   LIG    1        4.856  -1.045   1.174  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.354  -0.357   0.069  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        5.293   0.089  -0.870  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.654  -0.143  -0.668  0.00  0.00    +0.039 A 
BRANCH  10  17
ATOM     16  N   LIG    1        9.569  -1.274   0.910  0.00  0.00    -0.189 NA
ATOM     17  C   LIG    1        8.436  -1.086   0.735  0.00  0.00    +0.119 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1       -1.194   0.626  -0.429  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.542   0.851  -1.355  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.943   1.289   0.626  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.410   1.196   0.326  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.124   0.009   0.467  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.662  -1.343   0.862  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.018  -2.015   1.077  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.024  -1.300   0.323  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.475  -0.056   0.149  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.175   1.036  -0.322  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.483   2.239  -0.465  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.120   2.308  -0.144  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.483   3.475  -0.317  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5