REMARK  Name = BDB013087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.192   0.042   0.194  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        2.483   0.755   1.200  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.122   0.868   1.056  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.697   1.562   2.151  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.725   1.876   2.907  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.411   0.324  -0.022  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.064  -0.347  -0.932  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.854   1.367   2.306  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.433  -0.474  -0.800  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  F   LIG    1        4.926   0.277  -2.105  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        5.460  -0.070  -0.924  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1        4.652  -0.192   0.209  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        5.317  -0.523   1.385  0.00  0.00    +0.122 A 
ATOM     14  N   LIG    1        6.652  -0.758   1.476  0.00  0.00    -0.262 NA
ATOM     15  C   LIG    1        7.378  -0.635   0.346  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1        6.831  -0.291  -0.872  0.00  0.00    +0.058 A 
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -0.952   0.506  -0.086  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.362   1.286   0.415  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.706   0.125  -1.266  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.170   0.371  -1.014  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -3.927  -0.469  -0.203  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.525  -1.672   0.566  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -4.910  -2.201   0.938  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -5.858  -1.110   0.894  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.262  -0.199   0.061  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -5.904   0.906  -0.458  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.170   1.760  -1.280  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.816   1.497  -1.554  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4