REMARK  Name = BDB049801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.620   3.061  -1.617  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -4.000   1.843  -1.972  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -4.589   1.051  -2.955  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1       -3.760  -0.033  -3.065  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -3.875  -0.831  -3.676  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -2.711   0.116  -2.187  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -5.771   1.395  -3.613  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -6.360   2.605  -3.245  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -7.497   2.978  -3.847  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1       -2.844   1.241  -1.503  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1       -5.808   3.431  -2.273  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.655  -0.882  -2.079  0.00  0.00    +0.282 C 
ATOM     13  N   LIG    1       -0.590  -0.656  -1.224  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1        0.444  -1.660  -1.028  0.00  0.00    +0.126 C 
ATOM     15  C   LIG    1        1.215  -1.183   0.217  0.00  0.00    +0.073 C 
ATOM     16  C   LIG    1        1.111   0.339   0.073  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1       -0.312   0.536  -0.440  0.00  0.00    +0.110 C 
ATOM     18  O   LIG    1       -1.712  -1.916  -2.749  0.00  0.00    -0.267 OA
BRANCH  15  19
ATOM     19  N   LIG    1        2.579  -1.711   0.280  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1        3.076  -1.474  -0.580  0.00  0.00    +0.123 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.368  -1.251   1.431  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        4.800  -1.790   1.308  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1        5.713  -1.247   2.412  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        4.968  -0.844   3.684  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        3.757  -1.732   3.930  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        2.751  -1.679   2.777  0.00  0.00    +0.019 C 
ENDBRANCH  19  21
ENDBRANCH  15  19
ENDBRANCH   6  12
BRANCH   1  30
ATOM     27  N   LIG    1       -2.934   3.550   0.067  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -2.491   2.665  -0.160  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -2.540   4.145   0.781  0.00  0.00    +0.145 HD
ATOM     30  C   LIG    1       -4.064   3.959  -0.579  0.00  0.00    +0.244 C 
ATOM     31  O   LIG    1       -4.596   5.028  -0.304  0.00  0.00    -0.270 OA
ENDBRANCH   1  30
TORSDOF 4