REMARK  Name = BDB061782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.212  -0.375  -0.103  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.256  -1.671  -0.295  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.390  -1.904  -0.971  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.443  -2.753   0.230  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.632  -2.538   0.933  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.143  -1.239   1.101  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        1.413  -0.156   0.583  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -3.946   0.059   0.484  0.00  0.00    +0.074 C 
ATOM      9  N   LIG    1       -4.709   1.093  -0.259  0.00  0.00    -0.297 NA
ATOM     10  C   LIG    1       -3.947   2.330  -0.498  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -2.481   2.163  -0.946  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1       -1.798   1.052  -0.294  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1       -0.495   0.776  -0.685  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1        0.123   1.460  -1.499  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.497   0.479   0.855  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     16  C   LIG    1       -6.067  -0.919   1.581  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -4.687  -0.312   1.788  0.00  0.00    +0.017 C 
ENDBRANCH   8  17
BRANCH   9  18
ATOM     18  C   LIG    1       -5.398   0.579  -1.449  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -4.535   0.216  -2.653  0.00  0.00    +0.020 C 
ENDBRANCH   9  18
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        3.429  -1.029   1.878  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.320  -0.017   1.308  0.00  0.00    -0.289 N 
ATOM     22  C   LIG    1        5.109  -0.294   0.149  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        5.952   0.698  -0.365  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        6.746   0.473  -1.499  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.704  -0.761  -2.138  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.873  -1.762  -1.644  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.008   2.007   0.303  0.00  0.00    +0.262 A 
ATOM     28  O   LIG    1        6.743   2.906  -0.088  0.00  0.00    -0.267 OA
ATOM     29  N   LIG    1        5.196   2.157   1.392  0.00  0.00    -0.274 N 
ATOM     30  H   LIG    1        5.219   3.054   1.853  0.00  0.00    +0.173 HD
ATOM     31  C   LIG    1        5.083  -1.532  -0.510  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1        4.360   1.223   1.929  0.00  0.00    +0.330 A 
ATOM     33  O   LIG    1        3.690   1.516   2.919  0.00  0.00    -0.246 OA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5