REMARK  Name = BDB013181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.781   0.317   0.429  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        2.096   1.534   0.180  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.791   1.442  -0.240  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.363   2.731  -0.379  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.340   3.559  -0.084  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.125   0.223  -0.433  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.758  -0.891  -0.178  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.436   2.803   0.270  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.067  -0.816   0.255  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        5.022  -0.841  -1.256  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1        5.218  -0.316   0.135  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        6.478  -0.381   0.724  0.00  0.00    +0.217 A 
ATOM     13  F   LIG    1        7.489  -0.926   0.030  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1        6.773   0.063   1.964  0.00  0.00    -0.227 NA
ATOM     15  C   LIG    1        5.763   0.612   2.663  0.00  0.00    +0.114 A 
ATOM     16  C   LIG    1        4.467   0.712   2.189  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1        4.177   0.226   0.908  0.00  0.00    -0.004 A 
ENDBRANCH   1  17
BRANCH   6  18
ATOM     18  N   LIG    1       -1.181   0.238  -0.876  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.482   1.045  -1.413  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.837  -0.988  -1.303  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.304  -0.727  -1.482  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.183  -0.657  -0.406  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.943  -0.876   1.040  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.265  -0.346   1.595  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.269  -0.398   0.555  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.537  -0.415  -0.603  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.078  -0.231  -1.859  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.212  -0.276  -2.952  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.845  -0.517  -2.757  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.041  -0.541  -3.829  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4